Geometry & MOs

Info

ID:

321281

PubChem CID:

126665654

Reduced:

F4N5O6H29C31 (1)

Stoich.:

A4B5C6D29E31 (1)

Weight, g/mol:

534.235494

ΔHf, kcal/mol:

-372.05

Dipole, Da:

5.97

IP(EA), eV:

 -8.99(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)O)C(F)(F)F)O

DOS

IR

Vibrations