Geometry & MOs

Info

ID:	78763
PubChem CID:	49718192
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	321.132471
ΔH_f, kcal/mol:	-136.33
Dipole, Da:	2.6
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycyclopentyl)methyl]-N'-(4-methyl-2-nitrophenyl)oxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2(CCCC2)O

DOS

IR

Vibrations