Geometry & MOs

Info

ID:	26648
PubChem CID:	794448
Reduced:	ClNOH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	322.095357
ΔH_f, kcal/mol:	39.8
Dipole, Da:	6.06
IP(EA), eV:	-9.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylquinolin-8-yl) 2-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations