Geometry & MOs

Info

ID:	126119
PubChem CID:	50952635
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	302.127994
ΔH_f, kcal/mol:	-153.06
Dipole, Da:	5.81
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CN1C[C@@H](C[C@H]1C(=O)OC)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations