Geometry & MOs

Info

ID:	219022
PubChem CID:	85090378
Reduced:	O3N8C29H32 (1)
Stoich.:	A3B8C29D32 (1)
Weight, g/mol:	540.272318
ΔH_f, kcal/mol:	-0.65
Dipole, Da:	4.27
IP(EA), eV:	-8.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,9-diacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-4-oxo-1,2,3,7,9,10,11,13a-octahydrocyclopenta[12]annulen-11-yl) benzoate

Drug info:

PubChemData

Smile

CCC1=C2C(=NC=NN2C=C1NC(=O)OC3(CCC(CN3)O)C)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

DOS

IR

Vibrations