Geometry & MOs

Info

ID:	127065
PubChem CID:	50989532
Reduced:	O2N3C10H15 (2)
Stoich.:	A2B3C10D15 (2)
Weight, g/mol:	183.050713
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	3.85
IP(EA), eV:	-9.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations