Geometry & MOs

Info

ID:	280473
PubChem CID:	103849448
Reduced:	BrClNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	290.087827
ΔH_f, kcal/mol:	-164.41
Dipole, Da:	1.09
IP(EA), eV:	-9.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1(CCOC1)O)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations