Geometry & MOs

Info

ID:

423986

PubChem CID:

135120938

Reduced:

OF3N7C26H26 (1)

Stoich.:

AB3C7D26E26 (1)

Weight, g/mol:

496.183458

ΔHf, kcal/mol:

-87.18

Dipole, Da:

7.93

IP(EA), eV:

 -8.62(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C1)C2=NC=CC(=C2)CN3C=C(C(=N3)C(F)(F)F)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

DOS

IR

Vibrations