Geometry & MOs

Info

ID:	159670
PubChem CID:	57288608
Reduced:	NSO4C21H31 (1)
Stoich.:	ABC4D21E31 (1)
Weight, g/mol:	253.071448
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	2.64
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-phenyl-5-(trifluoromethyl)pyridin-3-ol

Drug info:

PubChemData

Smile

CC(CCCC(=O)NO)SCCC1C2CCC(C1COC3=CC=CC=C3)O2

DOS

IR

Vibrations