Geometry & MOs

Info

ID:	447830
PubChem CID:	135286082
Reduced:	FON7H28C31 (1)
Stoich.:	ABC7D28E31 (1)
Weight, g/mol:	421.145122
ΔH_f, kcal/mol:	109.57
Dipole, Da:	6.46
IP(EA), eV:	-8.56(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)N=C2

DOS

IR

Vibrations