Geometry & MOs

Info

ID:	449455
PubChem CID:	135298750
Reduced:	FON5H18C26 (1)
Stoich.:	ABC5D18E26 (1)
Weight, g/mol:	420.149873
ΔH_f, kcal/mol:	98.2
Dipole, Da:	4.71
IP(EA), eV:	-8.51(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(3-fluoro-5-methylphenyl)-2-(5-pyrazin-2-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)O)NN4)/C=C32

DOS

IR

Vibrations