Geometry & MOs

Info

ID:	251590
PubChem CID:	103105132
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	1.51
IP(EA), eV:	-10.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-methoxy-5-methylphenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC=NN2CC(C)C)C

DOS

IR

Vibrations