Geometry & MOs

Info

ID:	210067
PubChem CID:	80757435
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	306.082741
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	6.03
IP(EA), eV:	-9.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations