Geometry & MOs

Info

ID:	56738
PubChem CID:	22389247
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	382.125275
ΔH_f, kcal/mol:	4.96
Dipole, Da:	3.9
IP(EA), eV:	-9.48(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[3.2.1]octan-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]furo[2,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1C(C2)NC(=O)C3=NC=C4C(=C3)C(=CO4)C#CC(=O)N

DOS

IR

Vibrations