Geometry & MOs

Info

ID:	251934
PubChem CID:	103107947
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	3.54
IP(EA), eV:	-8.76(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1CCCCC1C2=CC=CC=C2

DOS

IR

Vibrations