Geometry & MOs

Info

ID:	68541
PubChem CID:	46508612
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	5.81
IP(EA), eV:	-9.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[methyl-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(C)C(=O)NC2=CC(=NO2)C

DOS

IR

Vibrations