Geometry & MOs

Info

ID:	130620
PubChem CID:	51091776
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	109.3
Dipole, Da:	4.52
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations