Geometry & MOs

Info

ID:	83806
PubChem CID:	49861504
Reduced:	ClNC17H30 (1)
Stoich.:	ABC17D30 (1)
Weight, g/mol:	340.272593
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	5.91
IP(EA), eV:	-9.54(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-2-[[(2R)-4-cyclohexylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2CCCC3C2[C@H]1CC4C3CCCC4.Cl

DOS

IR

Vibrations