Geometry & MOs

Info

ID:	19733
PubChem CID:	571520
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	36.56
Dipole, Da:	4.77
IP(EA), eV:	-8.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-nitrophenyl)ethyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations