Geometry & MOs

Info

ID:	271793
PubChem CID:	103692207
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-4.82
Dipole, Da:	4.42
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylphenyl)oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2COC3=CC=CC=C23)C#N

DOS

IR

Vibrations