Geometry & MOs

Info

ID:	121085
PubChem CID:	50755364
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	5.68
IP(EA), eV:	-9.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1C(=O)C=CN(C1=O)CC2=CC=CC=C2C

DOS

IR

Vibrations