Geometry & MOs

Info

ID:	307424
PubChem CID:	125299905
Reduced:	N2O3H13C15 (2)
Stoich.:	A2B3C13D15 (2)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	9.33
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)N(C5=O)C6=CC=CC=C6C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations