Geometry & MOs

Info

ID:	154456
PubChem CID:	56313897
Reduced:	FSN2O2H23C24 (1)
Stoich.:	ABC2D2E23F24 (1)
Weight, g/mol:	397.135718
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	3.66
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3)CC5=CC=CC=C5F

DOS

IR

Vibrations