Geometry & MOs

Info

ID:	156400
PubChem CID:	56370455
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	2.9
IP(EA), eV:	-8.07(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-oxo-3-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]propyl]benzamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations