Geometry & MOs

Info

ID:	424542
PubChem CID:	135123060
Reduced:	ClF4O4N5C30H30 (1)
Stoich.:	AB4C4D5E30F30 (1)
Weight, g/mol:	377.195071
ΔH_f, kcal/mol:	-271.49
Dipole, Da:	3.62
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C2=C(C=CC(=C2)C(=O)OC)N=C1CN3CCN(C[C@H]3C(F)(F)F)C4=NC(=CC=C4)OCC5=C(C=C(C=C5)Cl)F

DOS

IR

Vibrations