Geometry & MOs

Info

ID:

325147

PubChem CID:

126681454

Reduced:

FO2N6C34H39 (1)

Stoich.:

AB2C6D34E39 (1)

Weight, g/mol:

490.195109

ΔHf, kcal/mol:

-15.32

Dipole, Da:

7.39

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)(C4=CN=CC=C4)NC(=O)C(C)(C)C)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations