Geometry & MOs

Info

ID:

176170

PubChem CID:

76003026

Reduced:

N2O5C23H32 (1)

Stoich.:

A2B5C23D32 (1)

Weight, g/mol:

538.304287

ΔHf, kcal/mol:

-212.27

Dipole, Da:

3.83

IP(EA), eV:

 -9.14(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC=C1N(C(=O)C(C2)CC(=O)NCCC(C)C)CC3=CC=CO3

DOS

IR

Vibrations