Geometry & MOs

Info

ID:	351696
PubChem CID:	127282096
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	7.17
IP(EA), eV:	-8.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations