Geometry & MOs

Info

ID:	264943
PubChem CID:	103504328
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	282.153227
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	5.27
IP(EA), eV:	-9.03(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-fluoro-2,3-dihydroindol-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine

Drug info:

PubChemData

Smile

CCNCCCS(=O)(=O)N1CCC(CC1)C(C)C

DOS

IR

Vibrations