Geometry & MOs

Info

ID:	296357
PubChem CID:	117570010
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	252.02621
ΔH_f, kcal/mol:	49.55
Dipole, Da:	4.75
IP(EA), eV:	-8.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromoanilino)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(CNCCC1=CNC2=CC=CC=C21)C#N

DOS

IR

Vibrations