Geometry & MOs

Info

ID:	123531
PubChem CID:	50852550
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	250.081622
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	3.78
IP(EA), eV:	-8.99(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6,11-dihydroindeno[1,2-c]thiochromene

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCCC2=CC=CC=C2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations