Geometry & MOs

Info

ID:	187285
PubChem CID:	77554298
Reduced:	FO2N3C29H34 (1)
Stoich.:	AB2C3D29E34 (1)
Weight, g/mol:	355.1606
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	2.78
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a,11a-dimethyl-1-(1,3-thiazol-5-yl)-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]chromen-7-one

Drug info:

PubChemData

Smile

CC1C2=C(CC3=C1C(CC3)CC(C4=CC=CC=C4)N(CCO)CCO)N(N=C2)C5=CC=C(C=C5)F

DOS

IR

Vibrations