Geometry & MOs

Info

ID:	164023
PubChem CID:	74381501
Reduced:	PN5O9C19H24 (1)
Stoich.:	AB5C9D19E24 (1)
Weight, g/mol:	385.249118
ΔH_f, kcal/mol:	-369.47
Dipole, Da:	7.88
IP(EA), eV:	-9.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-amino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC2NC3C(C(=O)N2)N=CN3C4C(C(C(O4)COP(=O)(O)O)O)O

DOS

IR

Vibrations