Geometry & MOs

Info

ID:	251693
PubChem CID:	103106048
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	3.66
IP(EA), eV:	-9.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-hydroxyphenyl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCN2C=CN=C2C)C(=O)OCC

DOS

IR

Vibrations