Geometry & MOs

Info

ID:	436227
PubChem CID:	135195525
Reduced:	ClO2N6H13C14 (1)
Stoich.:	AB2C6D13E14 (1)
Weight, g/mol:	191.142248
ΔH_f, kcal/mol:	31.42
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

COC1C=C(NC=N1)C2=C(C=CC(=C2)Cl)N3C=C(N=N3)C(=O)N

DOS

IR

Vibrations