Geometry & MOs

Info

ID:	142583
PubChem CID:	53062011
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	436.08987
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	6.07
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC(=CC=C2)F)C3=NC=NC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations