Geometry & MOs

Info

ID:	307615
PubChem CID:	125307752
Reduced:	SN6C9H10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	167.87
Dipole, Da:	1.81
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxyphenyl)-3-hydroxy-3,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

C1CC1[C@@H]2NN=C3N2N=C(S3)C4=NN=CC4

DOS

IR

Vibrations