Geometry & MOs

Info

ID:	317354
PubChem CID:	126636696
Reduced:	F3C7H7 (1)
Stoich.:	A3B7C7 (1)
Weight, g/mol:	191.076871
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	0.99
IP(EA), eV:	-10.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylthiophen-3-yl)-2,3-dihydro-1H-azepine

Drug info:

PubChemData

Smile

C=C(C/C=C(\C(=C)F)/F)F

DOS

IR

Vibrations