Geometry & MOs

Info

ID:	257313
PubChem CID:	103145120
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	20.38
Dipole, Da:	9.3
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethyl-4-nitroanilino)methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2CC3CC2C=C3

DOS

IR

Vibrations