Geometry & MOs

Info

ID:	282500
PubChem CID:	103928940
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	37.48
Dipole, Da:	3.98
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CC=CC(=C1)C2=NNN=N2)N

DOS

IR

Vibrations