Geometry & MOs

Info

ID:	337590
PubChem CID:	127258213
Reduced:	ClNO2C6H14 (1)
Stoich.:	ABC2D6E14 (1)
Weight, g/mol:	189.040148
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	1.8
IP(EA), eV:	-9.15(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-(trifluoromethyl)pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCCC(C1)(O)O.Cl

DOS

IR

Vibrations