Geometry & MOs

Info

ID:

321305

PubChem CID:

126665750

Reduced:

F4N4O4H26C29 (1)

Stoich.:

A4B4C4D26E29 (1)

Weight, g/mol:

519.224595

ΔHf, kcal/mol:

-214.22

Dipole, Da:

5.32

IP(EA), eV:

 -9.3(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-phenylmethyl]phenyl]-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)N(C3=CC(=CC=C3)OC4=CC=CC=C4)F

DOS

IR

Vibrations