Geometry & MOs

Info

ID:	207492
PubChem CID:	80403816
Reduced:	ClSN4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	325.92801
ΔH_f, kcal/mol:	90.44
Dipole, Da:	2.57
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromothiophen-2-yl)methylamino]-4-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2S1)C)CNC3=C(C=CC(=C3)C#N)Cl

DOS

IR

Vibrations