Geometry & MOs

Info

ID:	237607
PubChem CID:	92719965
Reduced:	BrFON4H22C25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	265.085127
ΔH_f, kcal/mol:	59.47
Dipole, Da:	3.28
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)[C@@H](C3=CC=C(C=C3)Br)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations