Geometry & MOs

Info

ID:	52168
PubChem CID:	12014965
Reduced:	O2N3H5C7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	55.37
Dipole, Da:	3.15
IP(EA), eV:	-11.21(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-(dimethylamino)phenyl]-2-(5-nitropyridin-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=NC=C1[N+](=O)[O-])CC#N

DOS

IR

Vibrations