Geometry & MOs

Info

ID:	253433
PubChem CID:	103118404
Reduced:	BrN5H10C14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	293.160023
ΔH_f, kcal/mol:	112.66
Dipole, Da:	4.42
IP(EA), eV:	-8.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC4=C(C=C(C=C4N3)Br)N

DOS

IR

Vibrations