Geometry & MOs

Info

ID:	427458
PubChem CID:	135159057
Reduced:	ON8C20H20 (1)
Stoich.:	AB8C20D20 (1)
Weight, g/mol:	424.164774
ΔH_f, kcal/mol:	137.15
Dipole, Da:	12.25
IP(EA), eV:	-8.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-methyl-4-oxo-5-(3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]benzimidazol-2-ylidene)pyrazol-3-yl]phenyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CN1/C(=C\2/NC3CC=C(C=C3N2)CN)/C(=O)C(=N1)C4=CC=C(C=C4)N5C=CN=N5

DOS

IR

Vibrations