Geometry & MOs

Info

ID:	54587
PubChem CID:	17388945
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	269.109503
ΔH_f, kcal/mol:	4.77
Dipole, Da:	3.19
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-fluorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride

Drug info:

PubChemData

Smile

CCCCC1C(=O)N=C(S1)NN/C=C\2/C(=O)C=CC3=CC=CC=C32

DOS

IR

Vibrations