Geometry & MOs

Info

ID:	390739
PubChem CID:	135000656
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	1.67
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(hydroxymethyl)phenyl]-2,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CN1C(C(CC2=CC=CC=C21)(C(=O)OC)C(=O)OC)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations