Geometry & MOs

Info

ID:	79533
PubChem CID:	49816813
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	1.9
IP(EA), eV:	-9.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NC3CCCCC3

DOS

IR

Vibrations