Geometry & MOs

Info

ID:

325145

PubChem CID:

126681424

Reduced:

FO2N6C29H29 (1)

Stoich.:

AB2C6D29E29 (1)

Weight, g/mol:

536.233602

ΔHf, kcal/mol:

54.97

Dipole, Da:

5.31

IP(EA), eV:

 -9.32(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-aminoisoquinolin-7-yl)-N-[5-[3-cyclopropyl-1-(2-oxopyridin-1-yl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=CC=CC=C3)NCC4CC4)F)C5=CC=CC(=C5)C(=N)ON

DOS

IR

Vibrations