Geometry & MOs

Info

ID:	309975
PubChem CID:	126571828
Reduced:	SN7H27C29 (1)
Stoich.:	AB7C27D29 (1)
Weight, g/mol:	436.144787
ΔH_f, kcal/mol:	194.44
Dipole, Da:	10.28
IP(EA), eV:	-8.24(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-pyridin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations