Geometry & MOs

Info

ID:

21762

PubChem CID:

589803

Reduced:

NO6C30H39 (1)

Stoich.:

AB6C30D39 (1)

Weight, g/mol:

509.277738

ΔHf, kcal/mol:

-244.04

Dipole, Da:

8.49

IP(EA), eV:

 -8.54(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-(2-hydroxypropan-2-yl)-7'-methoxy-2,3'a,9'a-trimethylspiro[1,2-dihydro-3,1-benzoxazine-4,2'-1,5a,8,9,9b,10,11,11a-octahydroindeno[6,7-f]chromene]-3',5'-dione

Drug info:

PubChemData

Smile

CC1NC2=CC=CC=C2C3(O1)CC4CCC5C(=CC(=O)C6C5(CCC(O6)(C(C)(C)O)OC)C)C4(C3=O)C

DOS

IR

Vibrations