Geometry & MOs

Info

ID:	237690
PubChem CID:	92720785
Reduced:	FNO3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	4.63
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(3-ethoxy-4-hydroxyphenyl)-5-methyl-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@](C2=CC=C(C=C2)F)([C@@H](CN3CCOCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations