Geometry & MOs

Info

ID:	89806
PubChem CID:	49964760
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	4.98
IP(EA), eV:	-9.5(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3-hydroxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1=C2C(N(C(=O)C2=NN1)CC(OC)OC)C3=CC=CC=C3F

DOS

IR

Vibrations