Geometry & MOs

Info

ID:	379359
PubChem CID:	134419167
Reduced:	OC9H10 (3)
Stoich.:	AB9C10 (3)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	3.76
IP(EA), eV:	-7.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8,8-dimethyl-3-(2-nitroso-4-propylphenyl)-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromene

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)C2=CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)OCC=C

DOS

IR

Vibrations