Geometry & MOs

Info

ID:

325143

PubChem CID:

126681406

Reduced:

FO2N4C29H29 (1)

Stoich.:

AB2C4D29E29 (1)

Weight, g/mol:

563.269654

ΔHf, kcal/mol:

3.03

Dipole, Da:

2.75

IP(EA), eV:

 -9.16(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=CC=CC=C3)OCC4CC4)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations