Geometry & MOs

Info

ID:	371298
PubChem CID:	127345576
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	5.23
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-pyrazol-1-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=NC=C3)N4CCCC4

DOS

IR

Vibrations