Geometry & MOs

Info

ID:	257303
PubChem CID:	103145070
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	9.34
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations