Geometry & MOs

Info

ID:	233260
PubChem CID:	89449553
Reduced:	O4N5C16H17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	338.073908
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	7.31
IP(EA), eV:	-9.08(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-(3-formamido-4-pyrazol-4-ylidene-1H-pyrrolo[1,2-b]pyridazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(C)N1C=C(C=N1)C2=C(C=NN3C2=CC=C3C(=O)O)NC=O

DOS

IR

Vibrations