Geometry & MOs

Info

ID:

170417

PubChem CID:

75231342

Reduced:

NO23C90H131 (1)

Stoich.:

AB23C90D131 (1)

Weight, g/mol:

483.22887

ΔHf, kcal/mol:

-988.12

Dipole, Da:

8.63

IP(EA), eV:

 -8.64(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-hydroxyethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCOCCOCCOC(=O)CCC2=CC(=C(C(=C2)C)O)C(C)(C)C.C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations