Geometry & MOs

Info

ID:	228206
PubChem CID:	87563663
Reduced:	O2N5F6H21C24 (1)
Stoich.:	A2B5C6D21E24 (1)
Weight, g/mol:	511.180679
ΔH_f, kcal/mol:	-311.82
Dipole, Da:	8.08
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2OC(F)(F)F)C3=NC(=CC(=N3)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations