Geometry & MOs

Info

ID:	371156
PubChem CID:	127342681
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	4.49
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations