Geometry & MOs

Info

ID:	78766
PubChem CID:	49718202
Reduced:	ClN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	1.92
IP(EA), eV:	-9.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,5-dimethoxyphenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)O

DOS

IR

Vibrations