Geometry & MOs

Info

ID:	357328
PubChem CID:	127293961
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	8.67
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[(3-methylcyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations