Geometry & MOs

Info

ID:	216735
PubChem CID:	85086697
Reduced:	OSN3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	55.71
Dipole, Da:	6.55
IP(EA), eV:	-9.3(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-cyano-1-benzothiophene-6-carboxamide

Drug info:

PubChemData

Smile

CCC1C=CC2=NC(=NC(=O)C2=C1SC3=CC=NC=C3)C

DOS

IR

Vibrations