Geometry & MOs

Info

ID:	201752
PubChem CID:	79576502
Reduced:	ON2C18H34 (1)
Stoich.:	AB2C18D34 (1)
Weight, g/mol:	291.151767
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	4.4
IP(EA), eV:	-9.29(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCOCCC1CCCC1(C#N)NCCC

DOS

IR

Vibrations