Geometry & MOs

Info

ID:	194131
PubChem CID:	78488413
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-142.19
Dipole, Da:	5.47
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-butan-2-ylphenyl)-2-oxoethyl] 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations