Geometry & MOs

Info

ID:	19696
PubChem CID:	570627
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	32.83
Dipole, Da:	6.08
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations