Geometry & MOs

Info

ID:	197901
PubChem CID:	79013097
Reduced:	ON6C8H16 (1)
Stoich.:	AB6C8D16 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	11.02
Dipole, Da:	5.12
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(C)C1=NNN=N1)N

DOS

IR

Vibrations