Geometry & MOs

Info

ID:	132811
PubChem CID:	51425655
Reduced:	N3O4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	-93.83
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785329
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-methyl-3-phenyl-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC[N+]1=CNC=C1)OC2=CC3=C(C=C2)C=CC(=O)O3

DOS

IR

Vibrations