Geometry & MOs

Info

ID:

321275

PubChem CID:

126665646

Reduced:

O2F3N5C34H34 (1)

Stoich.:

A2B3C5D34E34 (1)

Weight, g/mol:

674.21409

ΔHf, kcal/mol:

-85.92

Dipole, Da:

6.46

IP(EA), eV:

 -8.7(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2,5-bis(phenylmethoxy)phenyl]-hydroxymethyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC(=CC=C3)N(C4CC=CC(=C4)CN)C(=O)C5=NNC(=C5)C(F)(F)F)NCC6CC6

DOS

IR

Vibrations