Geometry & MOs

Info

ID:	164990
PubChem CID:	74480378
Reduced:	N2O6C24H25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	7.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.383475
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)-4a,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2(CC(=NO2)C3=CC(=C(C=C3)OCC=C)OC)CC(=O)[O-])C

DOS

IR

Vibrations