Geometry & MOs

Info

ID:	217857
PubChem CID:	85088497
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	406.250795
ΔH_f, kcal/mol:	-243.03
Dipole, Da:	3.15
IP(EA), eV:	-9.53(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,6a,8a,11,14a-pentamethyl-7,8,9,11,12,12a,13,14-octahydro-6bH-picene-2,10-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations