Geometry & MOs

Info

ID:	126153
PubChem CID:	50953562
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	8.05
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-pyridin-4-ylpyridin-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N=C1N3CCCN4C(=CC(=N4)C(=O)NCCO)C3

DOS

IR

Vibrations