Geometry & MOs

Info

ID:	127499
PubChem CID:	51004288
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	1.66
IP(EA), eV:	-8.56(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,4R,5R)-3-tricyclo[3.2.1.02,4]octanyl]ethanone

Drug info:

PubChemData

Smile

C[C@@]12CCN([C@H](C1(C)C)CC3=C2C(=CC=C3)O)CC=C

DOS

IR

Vibrations