Geometry & MOs

Info

ID:	269018
PubChem CID:	103605296
Reduced:	BrN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	70.51
Dipole, Da:	4.01
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-methylphenyl)propylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations