Geometry & MOs

Info

ID:	1795
PubChem CID:	5060
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	28.49
Dipole, Da:	3.12
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC

DOS

IR

Vibrations