Geometry & MOs

Info

ID:	360345
PubChem CID:	127300988
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	5.62
IP(EA), eV:	-9.12(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3CC(=O)N(C3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations