Geometry & MOs

Info

ID:	230181
PubChem CID:	87570368
Reduced:	SC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	61.55
Dipole, Da:	1.83
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3-piperidin-1-ylphenyl)pyrimidine

Drug info:

PubChemData

Smile

C=CC=C.C=CC1=CC=CC=C1.S

DOS

IR

Vibrations