Geometry & MOs

Info

ID:	364716
PubChem CID:	127316022
Reduced:	ON7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	74.11
Dipole, Da:	5.28
IP(EA), eV:	-9.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations