Geometry & MOs

Info

ID:	254909
PubChem CID:	103128617
Reduced:	OF2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	2.51
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindazol-3-yl)-pyrimidin-5-ylmethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC(C2=C3C=NC=CN3N=C2)O

DOS

IR

Vibrations