Geometry & MOs

Info

ID:	421964
PubChem CID:	135116920
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	1.97
IP(EA), eV:	-8.47(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CN=C(N=C3)N4CCCCC4

DOS

IR

Vibrations