Geometry & MOs

Info

ID:

327377

PubChem CID:

126689723

Reduced:

F3N5O6C37H42 (1)

Stoich.:

A3B5C6D37E42 (1)

Weight, g/mol:

587.25081

ΔHf, kcal/mol:

-348.12

Dipole, Da:

10.18

IP(EA), eV:

 -9.09(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-butoxyphenyl)-(cyclopropylmethylamino)methyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CC=CC=C4)N(CCO)C(=O)OC(C)(C)C

DOS

IR

Vibrations