Geometry & MOs

Info

ID:	127633
PubChem CID:	51009448
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	13.39
Dipole, Da:	2.81
IP(EA), eV:	-8.95(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-azabicyclo[2.2.1]hept-5-ene

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C[C@@H]3C[C@H]2C(=C3)O

DOS

IR

Vibrations