Geometry & MOs

Info

ID:	400408
PubChem CID:	135047803
Reduced:	O2C5H7 (3)
Stoich.:	A2B5C7 (3)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	-243.63
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757342
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-hydroxy-3-methoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(CCC2(C1)OCCO2)C/C(=C(/[O-])\OC)/C(=O)OC

DOS

IR

Vibrations