Geometry & MOs

Info

ID:	221053
PubChem CID:	85256643
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	4.26
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6a,7-trihydroxy-1,1,2b,6-tetramethyl-2a,4,5,6,7,7a-hexahydro-2H-cyclobuta[a]inden-3-one

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2C(=O)N1C(CO)C3=CC=CC=C3

DOS

IR

Vibrations