Geometry & MOs

Info

ID:	365319
PubChem CID:	127317703
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	6.01
IP(EA), eV:	-8.46(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations