Geometry & MOs

Info

ID:	363890
PubChem CID:	127313547
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	1.89
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations