Geometry & MOs

Info

ID:	156551
PubChem CID:	56371096
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-119.35
Dipole, Da:	4.23
IP(EA), eV:	-8.11(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCC3=CC=CC=C3O

DOS

IR

Vibrations