Geometry & MOs

Info

ID:	127570
PubChem CID:	51006830
Reduced:	O7C21H24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-229.62
Dipole, Da:	2.08
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-5-[(1R,2R,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylpent-2-enoate

Drug info:

PubChemData

Smile

CCCC[C@@]12C(C([C@](O1)(C3=C2OC4=CC=CC=C4O3)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations