Geometry & MOs

Info

ID:	309776
PubChem CID:	126558163
Reduced:	NOC6H9 (1)
Stoich.:	ABC6D9 (1)
Weight, g/mol:	407.185844
ΔH_f, kcal/mol:	21.28
Dipole, Da:	0.47
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[5-methyl-4-[(1E)-1-(4-methylimidazol-1-yl)buta-1,3-dienyl]pyrrol-2-ylidene]-5-pyrimidin-5-yl-1,2-dihydroindazole

Drug info:

PubChemData

Smile

C/C(=C\C=C)/C=N/O

DOS

IR

Vibrations