Geometry & MOs

Info

ID:	276354
PubChem CID:	103822368
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-131.37
Dipole, Da:	4.99
IP(EA), eV:	-10.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dicyanophenyl)oxane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC(=NC=C1)Cl

DOS

IR

Vibrations