Geometry & MOs

Info

ID:	355650
PubChem CID:	127289408
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	50.33
Dipole, Da:	7.85
IP(EA), eV:	-8.78(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations