Geometry & MOs

Info

ID:	355625
PubChem CID:	127289383
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	9.64
IP(EA), eV:	-8.72(-1.35)
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-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=NC=C(C(=O)N2C=C1)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations