Geometry & MOs

Info

ID:

321262

PubChem CID:

126665629

Reduced:

SF3O3N5H26C30 (1)

Stoich.:

AB3C3D5E26F30 (1)

Weight, g/mol:

599.25081

ΔHf, kcal/mol:

-106.41

Dipole, Da:

5.92

IP(EA), eV:

 -9.08(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-(4-methoxynaphthalen-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations