Geometry & MOs

Info

ID:	152479
PubChem CID:	56311415
Reduced:	FO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	470.249333
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	6.07
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations