Geometry & MOs

Info

ID:	224563
PubChem CID:	85344829
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	19.74
Dipole, Da:	7.95
IP(EA), eV:	-9.83(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylidene-3-azatricyclo[3.2.1.02,4]octan-3-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

C=C1C=NC(=O)N=C1NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations