Geometry & MOs

Info

ID:	424232
PubChem CID:	135121847
Reduced:	NO2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	7.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771897
Charge, e:	0

Chem-info

IUPAC name:

[(7R)-3-buta-1,3-dien-2-yloxy-5,7-dimethyl-1-adamantyl] prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C=C(O1)C[N+](C)(C)C

DOS

IR

Vibrations