Geometry & MOs

Info

ID:	251653
PubChem CID:	103105682
Reduced:	ClO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	2.26
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-ethoxyphenyl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=C(C(=NN2CC)C)Cl)C(=O)OC

DOS

IR

Vibrations