Geometry & MOs

Info

ID:	25855
PubChem CID:	632026
Reduced:	O2N6H12C19 (1)
Stoich.:	A2B6C12D19 (1)
Weight, g/mol:	398.172939
ΔH_f, kcal/mol:	78.6
Dipole, Da:	6.04
IP(EA), eV:	-9.18(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-hydroxy-5-methyl-17-oxo-7,16-dioxahexacyclo[13.6.1.01,8.04,21.09,14.018,22]docosa-9,11,13-trien-13-yl) acetate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N3C(=N2)N=C4C5=CC=CC6=C5C(=CC=C6)C4=N3

DOS

IR

Vibrations