Geometry & MOs

Info

ID:	376542
PubChem CID:	134222560
Reduced:	FO3N7C26H28 (1)
Stoich.:	AB3C7D26E28 (1)
Weight, g/mol:	205.157898
ΔH_f, kcal/mol:	-44.78
Dipole, Da:	9.7
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CC2CC1C=C2NC(C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F)O

DOS

IR

Vibrations