Geometry & MOs

Info

ID:	69256
PubChem CID:	46530533
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	359.103669
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	5.93
IP(EA), eV:	-8.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-2-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations