Geometry & MOs

Info

ID:	398655
PubChem CID:	135034597
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	3.3
IP(EA), eV:	-7.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[1-(4-methoxyphenyl)triazol-4-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/CC(NC2=CC=CC=C2N1)C3=CC=CC=C3Br

DOS

IR

Vibrations