Geometry & MOs

Info

ID:	257282
PubChem CID:	103144906
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	10.44
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,5-dimethyl-4-nitroanilino)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C(C)OC

DOS

IR

Vibrations