Geometry & MOs

Info

ID:	78765
PubChem CID:	49718200
Reduced:	N3O5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	321.088019
ΔH_f, kcal/mol:	-130.79
Dipole, Da:	8.03
IP(EA), eV:	-9.93(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2(CCCC2)O

DOS

IR

Vibrations