Geometry & MOs

Info

ID:	402190
PubChem CID:	135054822
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	2.54
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4,5,6-tetramethylcyclohepta-1,3,5-triene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@@H]2CC(C=C2)C3=C1C4=CC=CC=C4O3

DOS

IR

Vibrations