Geometry & MOs

Info

ID:	121088
PubChem CID:	50755393
Reduced:	Cl2N3O4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	379.129884
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-0.86)
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-ethoxypropyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations