Geometry & MOs

Info

ID:	323244
PubChem CID:	126673768
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	22.3
Dipole, Da:	10.79
IP(EA), eV:	-8.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N

DOS

IR

Vibrations