Geometry & MOs

Info

ID:	54870
PubChem CID:	17389450
Reduced:	BrOSN2H21C23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	47.83
Dipole, Da:	4.98
IP(EA), eV:	-8.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(N(C(=NC2=CC=CC=C2)S1)C3=CC=CC=C3)C4=CC=C(C=C4)OC.Br

DOS

IR

Vibrations