Geometry & MOs

Info

ID:	289562
PubChem CID:	104359495
Reduced:	BrClSN2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	269.95594
ΔH_f, kcal/mol:	90.64
Dipole, Da:	5.1
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(3-bromo-2-chlorophenyl)-2-methylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)/C(=C(\C#N)/C2=CC=CS2)/N

DOS

IR

Vibrations