Geometry & MOs

Info

ID:	124322
PubChem CID:	50878691
Reduced:	Br2N2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	378.05791
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	2.86
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methoxyphenyl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)NC2=CC(=C(C=C2)OC)N)Br)Br

DOS

IR

Vibrations