Geometry & MOs

Info

ID:	153811
PubChem CID:	56313126
Reduced:	FON3H24C26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	382.151513
ΔH_f, kcal/mol:	1.75
Dipole, Da:	6.33
IP(EA), eV:	-8.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3C4=C2N=CC=C4)CC5=CC=CC=C5F

DOS

IR

Vibrations