Geometry & MOs

Info

ID:	364706
PubChem CID:	127316009
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	4.57
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)oxan-4-yl]-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=CC=C2)F)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations