Geometry & MOs

Info

ID:	355555
PubChem CID:	127289313
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	4.23
IP(EA), eV:	-9.04(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)oxan-4-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3(CCOCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations