Geometry & MOs

Info

ID:	252385
PubChem CID:	103111021
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	315.03711
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	10.74
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2-methylphenyl)methylamino]-4-bromobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=CC(=O)N=C(N2)C

DOS

IR

Vibrations