Geometry & MOs

Info

ID:	153919
PubChem CID:	56313259
Reduced:	FON4C27H31 (1)
Stoich.:	ABC4D27E31 (1)
Weight, g/mol:	385.135718
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	4.14
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-1H-indol-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)N4CCCN(CC4)CC5=CC=CC=C5F

DOS

IR

Vibrations