Geometry & MOs

Info

ID:	45351
PubChem CID:	10511812
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-221.32
Dipole, Da:	5.42
IP(EA), eV:	-10.54(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2aS,8aR)-5-methyl-1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one

Drug info:

PubChemData

Smile

C=C1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O

DOS

IR

Vibrations