Geometry & MOs

Info

ID:	363888
PubChem CID:	127313545
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	2.77
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCN1CCN(CC1)C(=O)C2CCC2)N3C=NC=N3

DOS

IR

Vibrations