Geometry & MOs

Info

ID:	78770
PubChem CID:	49718207
Reduced:	ClN2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	330.119127
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	4.35
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycyclopentyl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2(CCCC2)O)Cl

DOS

IR

Vibrations