Geometry & MOs

Info

ID:	234432
PubChem CID:	92298424
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	3.57
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,4bR,6aS,10aR,10bS,12aR)-10a,12a-dimethyl-4,4a,4b,5,6,6a,7,9,10,10b,11,12-dodecahydro-3H-naphtho[2,1-f]chromene-2,8-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2C3=CC=CC=C3O[C@@]1(N(C(=O)N2)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations