Geometry & MOs

Info

ID:	197446
PubChem CID:	78965665
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	33.54
Dipole, Da:	7.97
IP(EA), eV:	-8.69(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-nitrophenyl)morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations