Geometry & MOs

Info

ID:	365530
PubChem CID:	127317978
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.82
IP(EA), eV:	-8.87(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations