Geometry & MOs

Info

ID:	84708
PubChem CID:	49869381
Reduced:	ON8H20C22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	432.202222
ΔH_f, kcal/mol:	155.88
Dipole, Da:	7.2
IP(EA), eV:	-9.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-yl]-4-(4-ethyl-3-oxopiperazin-1-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C6CC6

DOS

IR

Vibrations