Geometry & MOs

Info

ID:	136367
PubChem CID:	52029266
Reduced:	ClON5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	385.099333
ΔH_f, kcal/mol:	70.32
Dipole, Da:	17.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838613
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-3-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=CC=N2)NC(=O)C3=C(C4=CC=CC=C4N3)Cl

DOS

IR

Vibrations