Geometry & MOs

Info

ID:	132812
PubChem CID:	51426378
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	77.77
Dipole, Da:	3.49
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CN1[C@@H](C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations