Geometry & MOs

Info

ID:	184696
PubChem CID:	77194243
Reduced:	NO7C32H33 (1)
Stoich.:	AB7C32D33 (1)
Weight, g/mol:	303.119461
ΔH_f, kcal/mol:	-230.02
Dipole, Da:	2.69
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-[2-[(1-hydroxy-2,3-dimethylpyridin-4-ylidene)amino]ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCC(CO)O)C(=O)C3=C1OC4=C3C=CC(=C4)OC(=O)NC5=CC=C(C=C5)C(C)(C)C)C

DOS

IR

Vibrations