Geometry & MOs

Info

ID:	212198
PubChem CID:	81059799
Reduced:	NS2O5C11H17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	330.09429
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	5.02
IP(EA), eV:	-9.63(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(S1)C(=O)O)C

DOS

IR

Vibrations