Geometry & MOs

Info

ID:	307278
PubChem CID:	125299328
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	7.89
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-propyl-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCN1[C@@H](C2=C(C1=O)N=N[C@H]2C3=CC=CC=C3O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations