Geometry & MOs

Info

ID:

423985

PubChem CID:

135120937

Reduced:

O2F3N6H23C24 (1)

Stoich.:

A2B3C6D23E24 (1)

Weight, g/mol:

509.215093

ΔHf, kcal/mol:

-135.15

Dipole, Da:

10.27

IP(EA), eV:

 -8.61(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]pyridin-4-yl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=CC(=C1)CN2C=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

DOS

IR

Vibrations