Geometry & MOs

Info

ID:	291498
PubChem CID:	112877810
Reduced:	BrFN4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	37.47
Dipole, Da:	2.94
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=CC=C2F)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations