Geometry & MOs

Info

ID:	427460
PubChem CID:	135159092
Reduced:	O2N7C25H25 (1)
Stoich.:	A2B7C25D25 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	130.86
Dipole, Da:	13.16
IP(EA), eV:	-7.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dimethyl-5-(4-methylphenyl)-1H-pyrazol-3-ylidene]-6,7-dihydro-5H-pyrrolo[3,4-f]benzimidazole

Drug info:

PubChemData

Smile

CN1C(=C2N=C3C=C4CNCC4=CC3=N2)C(=C(N1)C5=CC=C(C=C5)N6CCCCCC6=O)N=O

DOS

IR

Vibrations