Geometry & MOs

Info

ID:	390784
PubChem CID:	135000928
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	4.47
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@]3(O2)C4=CC=CC=C4N(C3=O)CC#C

DOS

IR

Vibrations