Geometry & MOs

Info

ID:	368779
PubChem CID:	127330101
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	364.179835
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	0.74
IP(EA), eV:	-8.69(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)COCC2CCOC2

DOS

IR

Vibrations