Geometry & MOs

Info

ID:	367379
PubChem CID:	127324331
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	3.77
IP(EA), eV:	-9.45(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3(CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations