Geometry & MOs

Info

ID:

321278

PubChem CID:

126665651

Reduced:

F4O4N7H33C35 (1)

Stoich.:

A4B4C7D33E35 (1)

Weight, g/mol:

535.21951

ΔHf, kcal/mol:

-225.08

Dipole, Da:

7.93

IP(EA), eV:

 -9.01(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-(3-hydroxyphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=CC2=C1C=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)C(CCC5CC5)N6C=CN=CC6=O)F

DOS

IR

Vibrations