Geometry & MOs

Info

ID:	48258
PubChem CID:	10538392
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	0.27
Dipole, Da:	10.14
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10bR)-2,2,5,5-tetramethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromene

Drug info:

PubChemData

Smile

CCC1=CC2=C(N1C(C)(C)C)C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations