Geometry & MOs

Info

ID:	283851
PubChem CID:	104012732
Reduced:	SN3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	253.101526
ΔH_f, kcal/mol:	98.0
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C(=C(/C#N)\C2=CN=CC=C2)/N

DOS

IR

Vibrations