Geometry & MOs

Info

ID:	370217
PubChem CID:	127337770
Reduced:	OSN5C17H27 (1)
Stoich.:	ABC5D17E27 (1)
Weight, g/mol:	336.198383
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	6.33
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(thian-4-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC3CCSCC3

DOS

IR

Vibrations