Geometry & MOs

Info

ID:	43040
PubChem CID:	10318052
Reduced:	ClO3N5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-35.96
Dipole, Da:	12.98
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclohexyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=C4C(=C(C(=C32)Cl)N5CCC(C5)N)NC=N4)C(=O)O

DOS

IR

Vibrations