Geometry & MOs

Info

ID:	202155
PubChem CID:	79636642
Reduced:	OSN2C14H24 (1)
Stoich.:	ABC2D14E24 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-47.22
Dipole, Da:	4.5
IP(EA), eV:	-9.01(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2CCOCC2)C#N

DOS

IR

Vibrations