Geometry & MOs

Info

ID:

321294

PubChem CID:

126665691

Reduced:

F3O3N5H38C40 (1)

Stoich.:

A3B3C5D38E40 (1)

Weight, g/mol:

693.292675

ΔHf, kcal/mol:

-91.32

Dipole, Da:

8.06

IP(EA), eV:

 -8.87(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-[cyclopropyl(methyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)C(=O)N(C)C7CC7)C(F)(F)F

DOS

IR

Vibrations