Geometry & MOs

Info

ID:	197026
PubChem CID:	78910561
Reduced:	BrNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	33.07
Dipole, Da:	1.98
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)methyl]-2-(2-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNCC2=CC=CC=C2Br

DOS

IR

Vibrations