Geometry & MOs

Info

ID:	132483
PubChem CID:	51368401
Reduced:	ClO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	50.11
Dipole, Da:	1.64
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=CC=C1C2=NN=C(O2)C3=CC=CO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations