Geometry & MOs

Info

ID:	321393
PubChem CID:	126665948
Reduced:	O2F4N4H12C19 (1)
Stoich.:	A2B4C4D12E19 (1)
Weight, g/mol:	537.23516
ΔH_f, kcal/mol:	-157.21
Dipole, Da:	0.9
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]-phenylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)CO)F)C#N

DOS

IR

Vibrations