Geometry & MOs

Info

ID:	19331
PubChem CID:	561664
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	3.18
IP(EA), eV:	-9.46(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-2-methyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC1=CC=CC=C1)C=O

DOS

IR

Vibrations