Geometry & MOs

Info

ID:

321302

PubChem CID:

126665737

Reduced:

O3F4N6H26C30 (1)

Stoich.:

A3B4C6D26E30 (1)

Weight, g/mol:

512.233602

ΔHf, kcal/mol:

-178.74

Dipole, Da:

10.58

IP(EA), eV:

 -9.56(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(aminomethyl)phenyl]-5-N-[5-[[cyclopropyl(methyl)amino]-phenylmethyl]-2-fluorophenyl]pyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)/C(=N\C(=O)O)/N)C(F)(F)F

DOS

IR

Vibrations