Geometry & MOs

Info

ID:	84323
PubChem CID:	49865769
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	433.06372
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	3.84
IP(EA), eV:	-8.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]triazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(N=N2)CC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations