Geometry & MOs

Info

ID:	221417
PubChem CID:	85272563
Reduced:	ClO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	247.048072
ΔH_f, kcal/mol:	-142.6
Dipole, Da:	2.64
IP(EA), eV:	-10.06(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(6,7-dioxocyclohepta-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C=CC1C(CCC(C1(C)O)Cl)(C)C)O

DOS

IR

Vibrations