Geometry & MOs

Info

ID:	297789
PubChem CID:	117630872
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	484.160136
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	4.72
IP(EA), eV:	-9.58(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyridine;1-methyl-6-(triazol-2-yl)-2H-pyridine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC3=NC=CC(=C3N2)C(=O)O)C

DOS

IR

Vibrations