Geometry & MOs

Info

ID:	157810
PubChem CID:	56437407
Reduced:	ClO3N4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	5.01
IP(EA), eV:	-9.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[4-(propanoylamino)phenyl]carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations