Geometry & MOs

Info

ID:	36582
PubChem CID:	8009149
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	238.056527
ΔH_f, kcal/mol:	-174.62
Dipole, Da:	3.26
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations