Geometry & MOs

Info

ID:	280999
PubChem CID:	103852357
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	235.056861
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	6.63
IP(EA), eV:	-10.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=CN=NC=C2

DOS

IR

Vibrations