Geometry & MOs

Info

ID:	262073
PubChem CID:	103268223
Reduced:	ClNO2F3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	239.113313
ΔH_f, kcal/mol:	-256.17
Dipole, Da:	4.03
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclobutylethylamino)methyl]-3,3,3-trifluoropropanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NC1=CC(=CC(=C1)C(F)(F)F)Cl

DOS

IR

Vibrations