Geometry & MOs

Info

ID:	195305
PubChem CID:	78671013
Reduced:	N2O4C22H27 (1)
Stoich.:	A2B4C22D27 (1)
Weight, g/mol:	396.100748
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	1.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219127
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-2-(3,4-diethoxyanilino)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3)OC

DOS

IR

Vibrations