Geometry & MOs

Info

ID:	153517
PubChem CID:	56312752
Reduced:	ClOF4N4C24H27 (1)
Stoich.:	ABC4D4E24F27 (1)
Weight, g/mol:	433.197712
ΔH_f, kcal/mol:	-209.3
Dipole, Da:	9.15
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations