Geometry & MOs

Info

ID:	337098
PubChem CID:	127256663
Reduced:	ClO4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	2.66
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-pyran-3-yl 2-methylcyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

C1C(=CC=CO1)O.C(C(=O)O)Cl

DOS

IR

Vibrations