Geometry & MOs

Info

ID:	207834
PubChem CID:	80458069
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	9.5
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-(3-methylpentan-2-yl)-2-nitroaniline

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NC2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations