Geometry & MOs

Info

ID:	37859
PubChem CID:	8025154
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	3.34
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-butan-2-yl]phenyl]-3-(3,4-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\NC(=O)/C(=C\C2=CC=C(C=C2)C(C)(C)C)/S1

DOS

IR

Vibrations