Geometry & MOs

Info

ID:	30186
PubChem CID:	840530
Reduced:	ON4C5H6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	1.91
IP(EA), eV:	-9.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=C(N=CN=C1N)C(=O)N

DOS

IR

Vibrations