Geometry & MOs

Info

ID:	39874
PubChem CID:	8142632
Reduced:	O3N4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782572
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C[NH+](C)CC2=CC=C(C=C2)C

DOS

IR

Vibrations