Geometry & MOs

Info

ID:	208363
PubChem CID:	80525258
Reduced:	BrFON2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	15.98
Dipole, Da:	5.16
IP(EA), eV:	-10.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-3-(3,5-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)C(C#N)C2=CC=NC=C2)Br

DOS

IR

Vibrations