Geometry & MOs

Info

ID:	249170
PubChem CID:	103087395
Reduced:	OSN2C13H28 (1)
Stoich.:	ABC2D13E28 (1)
Weight, g/mol:	280.172168
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	2.67
IP(EA), eV:	-8.6(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-1-pyrimidin-2-ylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C)C)NCCCCSC

DOS

IR

Vibrations