Geometry & MOs

Info

ID:	49380
PubChem CID:	11532948
Reduced:	N2O3C12H16 (2)
Stoich.:	A2B3C12D16 (2)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-209.27
Dipole, Da:	1.13
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-acetamidobenzoyl)amino]phenyl]-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC(=NC=C1CC2=CC(=C(C(=C2C=O)O)OC)OC)NC(=O)C(C)(C)C

DOS

IR

Vibrations