Geometry & MOs

Info

ID:	206497
PubChem CID:	80260906
Reduced:	ON3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	2.77
IP(EA), eV:	-9.96(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanopropan-2-yl)-N-(oxolan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NCCC#N

DOS

IR

Vibrations