Geometry & MOs

Info

ID:	45601
PubChem CID:	10515411
Reduced:	BrON2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	259.081773
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	3.37
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methoxybenzotriazol-1-yl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOCN1C(=NC(=C1Br)CC=C)C

DOS

IR

Vibrations