Geometry & MOs

Info

ID:	121086
PubChem CID:	50755372
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	5.37
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations