Geometry & MOs

Info

ID:	254955
PubChem CID:	103128903
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	47.89
Dipole, Da:	3.87
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CC(C2=C3C=NC=CN3N=C2)O

DOS

IR

Vibrations