Geometry & MOs

Info

ID:	126005
PubChem CID:	50948167
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	67.24
Dipole, Da:	5.51
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]furan-2-yl]but-3-yn-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C=CC=N1)N2C=NC(=C2C3=CC=C(C=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations