Geometry & MOs

Info

ID:	355563
PubChem CID:	127289321
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	5.99
Dipole, Da:	4.67
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations