Geometry & MOs

Info

ID:	136370
PubChem CID:	52030191
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	2.17
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-3-(6-oxo-2,4-diphenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N(C(=N1)C2=CC=CC=C2)CCC(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations