Geometry & MOs

Info

ID:	366418
PubChem CID:	127319907
Reduced:	O2N7C13H15 (1)
Stoich.:	A2B7C13D15 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	24.12
Dipole, Da:	6.6
IP(EA), eV:	-9.86(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C2=CC=CC=C2N3C=NN=N3)C(=O)N

DOS

IR

Vibrations