Geometry & MOs

Info

ID:	305856
PubChem CID:	124971540
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	52.73
Dipole, Da:	2.6
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN2CCCC[C@H]2C3=NC=NC=C3

DOS

IR

Vibrations