Geometry & MOs

Info

ID:	269899
PubChem CID:	103619597
Reduced:	IO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	24.57
Dipole, Da:	9.76
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])I

DOS

IR

Vibrations