Geometry & MOs

Info

ID:	127723
PubChem CID:	51012698
Reduced:	OC17H18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	0.41
Dipole, Da:	3.56
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-4,7,7-trimethyl-2-[(2R)-2-phenylmethoxypropanoyl]-2-azabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C[C@@]3(C[C@@]2(C(=O)C=C3)C)C

DOS

IR

Vibrations