Geometry & MOs

Info

ID:	439548
PubChem CID:	135229324
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	425.320626
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	3.23
IP(EA), eV:	-7.96(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-dodecan-6-yl-4-fluoropiperidin-1-yl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(CC1)OC)OC

DOS

IR

Vibrations