Geometry & MOs

Info

ID:	143079
PubChem CID:	53143571
Reduced:	ON5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	388.113567
ΔH_f, kcal/mol:	37.09
Dipole, Da:	6.4
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)N4CCC(CC4)N5CCCCC5

DOS

IR

Vibrations