Geometry & MOs

Info

ID:	229368
PubChem CID:	87567489
Reduced:	FS2N4O6C25H29 (1)
Stoich.:	AB2C4D6E25F29 (1)
Weight, g/mol:	345.03381
ΔH_f, kcal/mol:	-268.23
Dipole, Da:	3.35
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-1-[5-[(E)-prop-1-enyl]pyrimidin-2-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)CCC1CC(=O)/C(=C/2\NC3=C(C=C(C=C3)NS(=O)(=O)C)S(=O)(=O)N2)/C(=O)N1CC4=CC=C(C=C4)F

DOS

IR

Vibrations