Geometry & MOs

Info

ID:

297113

PubChem CID:

117609272

Reduced:

F3N7O7C40H50 (1)

Stoich.:

A3B7C7D40E50 (1)

Weight, g/mol:

487.194358

ΔHf, kcal/mol:

-382.52

Dipole, Da:

8.08

IP(EA), eV:

 -8.84(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[6-(dimethylamino)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-6-(trifluoromethyl)pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](COC(=O)NCCOCCN1C(=O)CCC1=O)NC(=O)N(C[C@@H]2CNC[C@@H]2F)[C@H](C3CCOCC3)C4=NC(=CN4CC5=CC=CC=C5)C6=C(C=CC(=C6)F)F

DOS

IR

Vibrations