Geometry & MOs

Info

ID:	257293
PubChem CID:	103144980
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	9.19
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2(CC2)C

DOS

IR

Vibrations