Geometry & MOs

Info

ID:	79520
PubChem CID:	49816673
Reduced:	Cl2N3O4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	409.155705
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	6.06
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations