Geometry & MOs

Info

ID:	166992
PubChem CID:	74762691
Reduced:	BrClON2H14C20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	79.38
Dipole, Da:	4.22
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3bR,6aS,7S,7aS)-7-hydroxy-5,5,7a-trimethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C=C(/C(=O)C2=CC=C(C=C2)Cl)\N3C=CN=C3)Br

DOS

IR

Vibrations