Geometry & MOs

Info

ID:	89500
PubChem CID:	49962116
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	22.05
Dipole, Da:	5.58
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-cyano-3-methyl-4-(4-propan-2-ylphenyl)-4H-pyrano[2,3-c]pyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)C

DOS

IR

Vibrations