Geometry & MOs

Info

ID:	178688
PubChem CID:	76368835
Reduced:	OF3N3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	6.17
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC(C)C1C2C(NC(=O)C2NN1)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations