Geometry & MOs

Info

ID:	348526
PubChem CID:	127273637
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-185.7
Dipole, Da:	3.22
IP(EA), eV:	-8.98(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCCC(C1)C(=O)N2CCOCC2)N3CCOCC3

DOS

IR

Vibrations