Geometry & MOs

Info

ID:

321379

PubChem CID:

126665926

Reduced:

OF3N5C32H32 (1)

Stoich.:

AB3C5D32E32 (1)

Weight, g/mol:

595.255895

ΔHf, kcal/mol:

-44.03

Dipole, Da:

5.43

IP(EA), eV:

 -8.89(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-phenylphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=CC=C2)C3=CC(=CC(=C3)C4CC4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)CN)C(F)(F)F

DOS

IR

Vibrations