Geometry & MOs

Info

ID:	127632
PubChem CID:	51009447
Reduced:	O5C31H48 (1)
Stoich.:	A5B31C48 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-189.55
Dipole, Da:	4.77
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-en-6-ol

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OC1C=C2C[C@H](CC[C@@]2(C3C1C4CCC(=O)[C@]4(CC3)C)C)OC(=O)C

DOS

IR

Vibrations