Geometry & MOs

Info

ID:

321272

PubChem CID:

126665643

Reduced:

OF5N5H26C29 (1)

Stoich.:

AB5C5D26E29 (1)

Weight, g/mol:

526.176265

ΔHf, kcal/mol:

-153.98

Dipole, Da:

3.32

IP(EA), eV:

 -9.18(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=C(C=CC=C5F)F

DOS

IR

Vibrations