Geometry & MOs

Info

ID:	202182
PubChem CID:	79639586
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	251.236148
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	3.11
IP(EA), eV:	-8.62(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-[methyl(4-methylpentan-2-yl)amino]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)N2CC(OCC2CC)C)C#N

DOS

IR

Vibrations