Geometry & MOs

Info

ID:	402215
PubChem CID:	135054988
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	5.08
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R)-4-cyclohexa-2,5-dien-1-yl-4-naphthalen-2-ylbut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H](CC=O)C2=CC=CC2

DOS

IR

Vibrations