Geometry & MOs

Info

ID:	448173
PubChem CID:	135288991
Reduced:	O2N6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	519.218287
ΔH_f, kcal/mol:	127.8
Dipole, Da:	6.64
IP(EA), eV:	-8.33(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(5-pyrimidin-5-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=COC=C6

DOS

IR

Vibrations