Geometry & MOs

Info

ID:	169038
PubChem CID:	75058196
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	464.277404
ΔH_f, kcal/mol:	7.85
Dipole, Da:	12.42
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(acetyloxymethyl)-2-hydroxy-9-methyl-14-(2-methylpropanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)C4=CC(=CC=C4)N

DOS

IR

Vibrations