Geometry & MOs

Info

ID:	233257
PubChem CID:	89449536
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	242.091609
ΔH_f, kcal/mol:	88.2
Dipole, Da:	2.92
IP(EA), eV:	-8.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-amino-4-pyrazol-4-ylidene-1H-pyrrolo[1,2-b]pyridazin-3-yl)formamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C(C=NN4C3=CC=C4N)NC=O

DOS

IR

Vibrations