Geometry & MOs

Info

ID:	156298
PubChem CID:	56370008
Reduced:	BrNO3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	4.47
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-benzyl-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)Br)C(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations