Geometry & MOs

Info

ID:	22962
PubChem CID:	600141
Reduced:	FON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	270.091689
ΔH_f, kcal/mol:	23.01
Dipole, Da:	4.53
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations