Geometry & MOs

Info

ID:	303781
PubChem CID:	124490169
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	6.14
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S,7S,8S,11S)-8-tricyclo[5.3.1.04,11]undeca-2,5,9-trienyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=C[C@H]2C=C[C@@H](C=C1)NC2=O

DOS

IR

Vibrations