Geometry & MOs

Info

ID:	221393
PubChem CID:	85272408
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	2.03
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(butylideneamino)-4-methoxy-2-nitroaniline

Drug info:

PubChemData

Smile

CC1CC(=C2C(=O)C3=CC=CC=C3C2=O)CCN1

DOS

IR

Vibrations