Geometry & MOs

Info

ID:	424549
PubChem CID:	135123091
Reduced:	ClN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	7.09
IP(EA), eV:	-9.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethyltriazol-4-yl)methoxy]-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCC1CN(CC2=C(O1)C=CC(=N2)Cl)C(=O)O

DOS

IR

Vibrations