Geometry & MOs

Info

ID:

188421

PubChem CID:

77715410

Reduced:

FNCl2O4H22C23 (1)

Stoich.:

ABC2D4E22F23 (1)

Weight, g/mol:

546.309372

ΔHf, kcal/mol:

-190.04

Dipole, Da:

4.9

IP(EA), eV:

 -9.14(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CCC(C)C(C)(C1=C(N(C2=CC(=C(C=C21)O)F)C(=O)C3=CC(=C(C=C3)Cl)Cl)C)C(=O)O

DOS

IR

Vibrations