Geometry & MOs

Info

ID:	355639
PubChem CID:	127289397
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	4.2
Dipole, Da:	8.38
IP(EA), eV:	-8.77(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations