Geometry & MOs

Info

ID:	417536
PubChem CID:	135099579
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	43.92
Dipole, Da:	4.63
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-oxo-1-(3-pyridin-3-ylpropylamino)propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations