Geometry & MOs

Info

ID:	202175
PubChem CID:	79638394
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	4.52
IP(EA), eV:	-8.63(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)N(CC)C2CCCCC2)C#N

DOS

IR

Vibrations