Geometry & MOs

Info

ID:	307591
PubChem CID:	125307637
Reduced:	OSN6H14C17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	142.35
Dipole, Da:	5.52
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-3a,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C1)C2=NNC(=S)N2NC=C3C(=O)C=CC4=CC=CC=C43

DOS

IR

Vibrations