Geometry & MOs

Info

ID:	291488
PubChem CID:	112788316
Reduced:	ClO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	420.10486
ΔH_f, kcal/mol:	-165.57
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OC)OCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations