Geometry & MOs

Info

ID:	370154
PubChem CID:	127337527
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	16.1
Dipole, Da:	6.64
IP(EA), eV:	-8.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC3=CN=C(S3)C

DOS

IR

Vibrations