Geometry & MOs

Info

ID:	270905
PubChem CID:	103638688
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	23.35
Dipole, Da:	6.32
IP(EA), eV:	-8.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-nitroaniline

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2=C(C=CC=C2[N+](=O)[O-])C

DOS

IR

Vibrations