Geometry & MOs

Info

ID:	283742
PubChem CID:	104003233
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	282.119127
ΔH_f, kcal/mol:	-107.78
Dipole, Da:	3.16
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylcyclopropyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCC1(CC1)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations