Geometry & MOs

Info

ID:	294176
PubChem CID:	117431066
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	7.74
IP(EA), eV:	-10.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2N3C=NC=N3)C(=O)O

DOS

IR

Vibrations