Geometry & MOs

Info

ID:	414855
PubChem CID:	135087827
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	23.37
Dipole, Da:	4.91
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-cyclohexyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CCCC(C3)C4=NC=CN4

DOS

IR

Vibrations