Geometry & MOs

Info

ID:	386526
PubChem CID:	134982037
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	3.23
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-cyclohepta-2,4-dien-1-yl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)C1=CC=CC=C1)/C=C/C=C/C

DOS

IR

Vibrations