Geometry & MOs

Info

ID:	82755
PubChem CID:	49856456
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	87.54
Dipole, Da:	6.99
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC=CC(=C2)C3=CC(=CC=C3)OC)C4=CN=CN4C

DOS

IR

Vibrations