Geometry & MOs

Info

ID:	352485
PubChem CID:	127283573
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	2.95
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-5-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations