Geometry & MOs

Info

ID:	351761
PubChem CID:	127282161
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	4.49
IP(EA), eV:	-9.11(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations