Geometry & MOs

Info

ID:	68549
PubChem CID:	46508624
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	7.59
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[methyl-[2-oxo-2-(2-propoxyanilino)ethyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

DOS

IR

Vibrations