Geometry & MOs

Info

ID:	289566
PubChem CID:	104359499
Reduced:	BrClN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	332.96684
ΔH_f, kcal/mol:	96.69
Dipole, Da:	6.32
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(3-bromo-2-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations