Geometry & MOs

Info

ID:	355599
PubChem CID:	127289357
Reduced:	ON7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	45.68
Dipole, Da:	4.43
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations