Geometry & MOs

Info

ID:	10085
PubChem CID:	96956
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	43.36
Dipole, Da:	4.92
IP(EA), eV:	-8.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-nitrophenyl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations