Geometry & MOs

Info

ID:	350282
PubChem CID:	127277360
Reduced:	BrSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	5.03
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(cyclopentanecarbonylamino)methyl]-N-(1-ethylpiperidin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NC2=NNC(=C2)C3=CC=C(S3)Br

DOS

IR

Vibrations