Geometry & MOs

Info

ID:

321288

PubChem CID:

126665674

Reduced:

OF3N6C35H35 (1)

Stoich.:

AB3C6D35E35 (1)

Weight, g/mol:

515.169973

ΔHf, kcal/mol:

-36.0

Dipole, Da:

6.64

IP(EA), eV:

 -8.28(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(N-methylanilino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C2=CC=CC=C21)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)N(C)C6CC6

DOS

IR

Vibrations