Geometry & MOs

Info

ID:	372043
PubChem CID:	131289866
Reduced:	IO2F3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-186.06
Dipole, Da:	3.73
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-(pyridin-4-ylmethyl)piperazin-2-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC(F)F)I)F

DOS

IR

Vibrations