Geometry & MOs

Info

ID:	153165
PubChem CID:	56312313
Reduced:	FSN3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	393.141946
ΔH_f, kcal/mol:	26.01
Dipole, Da:	1.43
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4F

DOS

IR

Vibrations