Geometry & MOs

Info

ID:	424536
PubChem CID:	135123050
Reduced:	SO2F3N3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-207.15
Dipole, Da:	5.68
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylmethoxyazepane;hydrochloride

Drug info:

PubChemData

Smile

C1CC2(CCN(C1)C3=C4C=C(SC4=NC=N3)CC(F)(F)F)OCCO2

DOS

IR

Vibrations