Geometry & MOs

Info

ID:	271868
PubChem CID:	103694670
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	279.03711
ΔH_f, kcal/mol:	-167.05
Dipole, Da:	7.2
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[(3S)-3-methylpiperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)C=CN2)C(=O)O

DOS

IR

Vibrations