Geometry & MOs

Info

ID:	317553
PubChem CID:	126643319
Reduced:	F3N3O3C13H18 (1)
Stoich.:	A3B3C3D13E18 (1)
Weight, g/mol:	365.99776
ΔH_f, kcal/mol:	-278.45
Dipole, Da:	7.91
IP(EA), eV:	-9.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-iodo-5-(2-methylpyrimidin-5-yl)-2H-indazol-6-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C2CC3CC3N2C(=O)O)CC(F)(F)F

DOS

IR

Vibrations