Geometry & MOs

Info

ID:	320567
PubChem CID:	126661763
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	6.97
IP(EA), eV:	-9.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R,9S,10S,12R,17R)-1,9,12-trihydroxy-10,14,17-trimethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)OC)C)[N+](=O)[O-]

DOS

IR

Vibrations