Geometry & MOs

Info

ID:	203242
PubChem CID:	79798429
Reduced:	N2F3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-257.97
Dipole, Da:	8.79
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(butan-2-ylamino)acetyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations