Geometry & MOs

Info

ID:	90062
PubChem CID:	49966103
Reduced:	FOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	288.082267
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	5.45
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(2,5-difluorophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)/C=C/C2=C(C=CC=C2F)F

DOS

IR

Vibrations