Geometry & MOs

Info

ID:	284479
PubChem CID:	104049716
Reduced:	ClO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	312.076451
ΔH_f, kcal/mol:	-183.58
Dipole, Da:	3.3
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-chloro-4-formylphenoxy)-2,2-dimethyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)COC1=CC(=C(C(=C1)C)Cl)C

DOS

IR

Vibrations