Geometry & MOs

Info

ID:	351772
PubChem CID:	127282172
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	4.02
IP(EA), eV:	-8.89(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4OC3

DOS

IR

Vibrations