Geometry & MOs

Info

ID:	157452
PubChem CID:	56430216
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	441.05105
ΔH_f, kcal/mol:	-154.21
Dipole, Da:	3.54
IP(EA), eV:	-8.73(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations