Geometry & MOs

Info

ID:	201039
PubChem CID:	79479834
Reduced:	BrN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	1.4
IP(EA), eV:	-9.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C(=O)NCC2=CC(=CC=C2)Br

DOS

IR

Vibrations