Geometry & MOs

Info

ID:	380892
PubChem CID:	134971483
Reduced:	NOH16C18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	36.05
Dipole, Da:	5.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.052449
Charge, e:	0

Chem-info

IUPAC name:

(8R)-1-methyl-8-[(2R)-3-methyl-1-phenylmethoxybutan-2-yl]bicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

C1C2C=CC(=O)[N+]2=C3C=CC=CC3C1C4=CC=CC=C4

DOS

IR

Vibrations