Geometry & MOs

Info

ID:	264014
PubChem CID:	103416409
Reduced:	NBr2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	418.94155
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	3.2
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(O1)C2=CC(=C(C=C2Br)Br)OC)N

DOS

IR

Vibrations