Geometry & MOs

Info

ID:

326758

PubChem CID:

126688142

Reduced:

OF3N6C27H31 (1)

Stoich.:

AB3C6D27E31 (1)

Weight, g/mol:

533.276631

ΔHf, kcal/mol:

-89.81

Dipole, Da:

5.23

IP(EA), eV:

 -8.6(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[(cyclopropylmethylamino)-(2,5-dimethylphenyl)methyl]aniline

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations