Geometry & MOs

Info

ID:	298573
PubChem CID:	117651237
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	1.8
IP(EA), eV:	-9.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-(4-methoxybutyl)phenyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1CCC2(C1)OC(=O)C(C(=O)O2)CC3=CC=CC=C3

DOS

IR

Vibrations