Geometry & MOs

Info

ID:	195598
PubChem CID:	78708156
Reduced:	N2O2C24H31 (1)
Stoich.:	A2B2C24D31 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.177014
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC3=CCCCC3

DOS

IR

Vibrations