Geometry & MOs

Info

ID:	69588
PubChem CID:	47201673
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	6.89
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations