Geometry & MOs

Info

ID:

444144

PubChem CID:

135261461

Reduced:

FO2N7H28C32 (1)

Stoich.:

AB2C7D28E32 (1)

Weight, g/mol:

489.207722

ΔHf, kcal/mol:

49.64

Dipole, Da:

4.04

IP(EA), eV:

 -8.76(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations