Geometry & MOs

Info

ID:	182958
PubChem CID:	76963291
Reduced:	O5C21H40 (2)
Stoich.:	A5B21C40 (2)
Weight, g/mol:	160.052429
ΔH_f, kcal/mol:	-610.65
Dipole, Da:	4.18
IP(EA), eV:	-10.51(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,7bR)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCC.CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC

DOS

IR

Vibrations