Geometry & MOs

Info

ID:	307425
PubChem CID:	125299911
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	40.72
Dipole, Da:	8.85
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(2-hydroxyphenyl)-4-phenyl-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

DOS

IR

Vibrations