Geometry & MOs

Info

ID:

321263

PubChem CID:

126665631

Reduced:

O2F3N5H32C34 (1)

Stoich.:

A2B3C5D32E34 (1)

Weight, g/mol:

599.25081

ΔHf, kcal/mol:

-77.74

Dipole, Da:

4.84

IP(EA), eV:

 -8.33(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=C(C6=CC=CC=C65)OC

DOS

IR

Vibrations