Geometry & MOs

Info

ID:	28654
PubChem CID:	828808
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	5.58
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations