Geometry & MOs

Info

ID:	153505
PubChem CID:	56312738
Reduced:	FOSN3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	430.14749
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	4.32
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations