Geometry & MOs

Info

ID:	370063
PubChem CID:	127337318
Reduced:	O2N5C21H37 (1)
Stoich.:	A2B5C21D37 (1)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	6.06
IP(EA), eV:	-8.45(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC(C)(C)N3CC(OC(C3)C)C

DOS

IR

Vibrations