Geometry & MOs

Info

ID:	193382
PubChem CID:	78385918
Reduced:	NOC59H81 (1)
Stoich.:	ABC59D81 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	6.43
IP(EA), eV:	-7.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5-trimethyl-6-oxo-1,1a,2,4,7,7a-hexahydrocyclopropa[e]azulene-7b-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)CN(CC(CCCCCC)CCCCCC)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC3=CC=C(C=C3)C=CC4=CC=C(C=C4)C=O

DOS

IR

Vibrations