Geometry & MOs

Info

ID:	427584
PubChem CID:	135160238
Reduced:	SN2F3O3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	190.990469
ΔH_f, kcal/mol:	-245.93
Dipole, Da:	9.31
IP(EA), eV:	-8.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichloro-4H-azepin-6-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations