Geometry & MOs

Info

ID:	228273
PubChem CID:	87563788
Reduced:	ON3F6H11C19 (1)
Stoich.:	AB3C6D11E19 (1)
Weight, g/mol:	397.101366
ΔH_f, kcal/mol:	-272.03
Dipole, Da:	2.02
IP(EA), eV:	-10.24(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CC(=N2)C(=O)N)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations