Geometry & MOs

Info

ID:	315511
PubChem CID:	126627294
Reduced:	FN4O4C28H33 (1)
Stoich.:	AB4C4D28E33 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-149.35
Dipole, Da:	7.85
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methyl-1-pyridin-3-ylpropan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC=N/C=C(/C1=CC=C(C=C1)C(=O)N[C@@H](C[C@H](C)C(=O)O)C(=O)NC(C)(C)CC2=CC=C(C=C2)F)\N=C

DOS

IR

Vibrations