Geometry & MOs

Info

ID:	375655
PubChem CID:	134220568
Reduced:	SO6H12C17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	347.98902
ΔH_f, kcal/mol:	-160.17
Dipole, Da:	3.61
IP(EA), eV:	-9.88(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-7-(1-iodoethyl)-7-methylimidazo[1,2-a]azepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(S(=O)(=O)C3=CC=CC=C3C2=O)COC(=O)O

DOS

IR

Vibrations