Geometry & MOs

Info

ID:	88551
PubChem CID:	49955395
Reduced:	OCl2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	468.02605
ΔH_f, kcal/mol:	127.25
Dipole, Da:	6.1
IP(EA), eV:	-8.51(-7.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(5-bromo-2-ethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;chloride

Drug info:

PubChemData

Smile

CCN(CC)CCNCC1=CC2=C(C=C1)N(C(=O)N2C)C.[Cl-].[Cl-]

DOS

IR

Vibrations