Geometry & MOs

Info

ID:	28653
PubChem CID:	828804
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	4.34
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations