Geometry & MOs

Info

ID:	307616
PubChem CID:	125307763
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	3.16
IP(EA), eV:	-8.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,7S)-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

CCOC1=CC=C(C=C1)[C@H]2C3=C(NC4=C2C(=O)C[C@@H](C4)C5=CC(=C(C=C5)OC)OC)N=N[C@@H]3O

DOS

IR

Vibrations