Geometry & MOs

Info

ID:	190605
PubChem CID:	78028078
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	426.204239
ΔH_f, kcal/mol:	-210.54
Dipole, Da:	3.31
IP(EA), eV:	-9.39(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-1-phenylpentan-2-yl) 2,4-dihydroxy-6-(2-oxohept-3-enyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(CC1=CC=CC=C1)CO)C(C)(C)O

DOS

IR

Vibrations