Geometry & MOs

Info

ID:	156663
PubChem CID:	56371594
Reduced:	BrO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-71.15
Dipole, Da:	1.92
IP(EA), eV:	-7.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCC3=CC=CC=C3Br

DOS

IR

Vibrations