Geometry & MOs

Info

ID:

220150

PubChem CID:

85165299

Reduced:

N3O18C24H43 (1)

Stoich.:

A3B18C24D43 (1)

Weight, g/mol:

661.242415

ΔHf, kcal/mol:

-732.87

Dipole, Da:

4.21

IP(EA), eV:

 -10.04(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C(COCCOCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)N=[N+]=[N-]

DOS

IR

Vibrations