Geometry & MOs

Info

ID:	187615
PubChem CID:	77598060
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	468.188349
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	2.71
IP(EA), eV:	-8.77(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCC3C(C2)NNC3NC(=O)C

DOS

IR

Vibrations