Geometry & MOs

Info

ID:	405409
PubChem CID:	135073851
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-171.96
Dipole, Da:	4.61
IP(EA), eV:	-9.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(4-hydroxyphenyl)-2-oxopropanoate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C(=O)OC)\NC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations