Geometry & MOs

Info

ID:

325176

PubChem CID:

126681792

Reduced:

FON7H30C33 (1)

Stoich.:

ABC7D30E33 (1)

Weight, g/mol:

503.269654

ΔHf, kcal/mol:

91.61

Dipole, Da:

6.68

IP(EA), eV:

 -8.64(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxopiperidin-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(CCC3CC3)(C4=CC=C(C=C4)C#N)N)F)C5=CC6=C(C=C5)C=CN=C6N

DOS

IR

Vibrations