Geometry & MOs

Info

ID:	73877
PubChem CID:	48420879
Reduced:	ClFOSN5C17H17 (1)
Stoich.:	ABCDE5F17G17 (1)
Weight, g/mol:	333.143704
ΔH_f, kcal/mol:	2.18
Dipole, Da:	8.03
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-nitrophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN(CCCN2C=CN=C2)C(=O)NC3=NC=CS3)F

DOS

IR

Vibrations