Geometry & MOs

Info

ID:	217587
PubChem CID:	85088063
Reduced:	O2N3C22H43 (1)
Stoich.:	A2B3C22D43 (1)
Weight, g/mol:	379.07831
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	3.93
IP(EA), eV:	-9.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl 5-bromo-2-hydroxy-2-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCNC1CC(=O)N(C(=O)N1)C

DOS

IR

Vibrations