Geometry & MOs

Info

ID:

321254

PubChem CID:

126665608

Reduced:

OF3N5H32C37 (1)

Stoich.:

AB3C5D32E37 (1)

Weight, g/mol:

520.219844

ΔHf, kcal/mol:

-23.25

Dipole, Da:

4.85

IP(EA), eV:

 -8.63(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-pyridin-4-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations