Geometry & MOs

Info

ID:	206871
PubChem CID:	80314741
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	5.04
IP(EA), eV:	-9.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2(CCCCC2)C(=O)O

DOS

IR

Vibrations