Geometry & MOs

Info

ID:	175361
PubChem CID:	75887983
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	4.58
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethoxyphenyl)-3-[(2-oxo-6-phenylpiperidine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC)NC(=O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations