Geometry & MOs

Info

ID:	305855
PubChem CID:	124971527
Reduced:	O2S2N4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	4.8
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)C)[C@@H]2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations