Geometry & MOs

Info

ID:	48324
PubChem CID:	10538907
Reduced:	OC8H15 (2)
Stoich.:	AB8C15 (2)
Weight, g/mol:	254.129824
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	5.99
IP(EA), eV:	-9.9(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-5-amine

Drug info:

PubChemData

Smile

CCCCCCCCCC/C(=C/[C@H](C)C(=O)O)/C

DOS

IR

Vibrations