Geometry & MOs

Info

ID:	374139
PubChem CID:	131324257
Reduced:	BrON2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	197.095297
ΔH_f, kcal/mol:	68.05
Dipole, Da:	1.73
IP(EA), eV:	-9.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(8-methylquinolin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=C(ON=C2)CCC#N

DOS

IR

Vibrations