Geometry & MOs

Info

ID:	425538
PubChem CID:	135126656
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	6.7
IP(EA), eV:	-9.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethyl-3-[(1-methyltriazol-4-yl)methoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C(C)(C)C(=O)O)OCC2=CN(N=N2)C)CO

DOS

IR

Vibrations