Geometry & MOs

Info

ID:

321271

PubChem CID:

126665642

Reduced:

O2F3N5H34C36 (1)

Stoich.:

A2B3C5D34E36 (1)

Weight, g/mol:

555.205751

ΔHf, kcal/mol:

-77.32

Dipole, Da:

5.28

IP(EA), eV:

 -8.94(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2,6-difluorophenyl)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=CC(=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations