Geometry & MOs

Info

ID:	327125
PubChem CID:	126689047
Reduced:	Cl2F3N6C15H17 (1)
Stoich.:	A2B3C6D15E17 (1)
Weight, g/mol:	571.255895
ΔH_f, kcal/mol:	-108.45
Dipole, Da:	7.55
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-tert-butylphenyl)-(cyclopropylmethylamino)methyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCC=C1C2=C(C=C(C=C2Cl)NC3=NNC(=N3)N)C(C(F)F)F.Cl

DOS

IR

Vibrations