Geometry & MOs

Info

ID:	151945
PubChem CID:	56310778
Reduced:	FOSN3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	429.24277
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	1.24
IP(EA), eV:	-8.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations