Geometry & MOs

Info

ID:	138863
PubChem CID:	52435761
Reduced:	ClO4N5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	432.23727
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	7.73
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-pentoxybenzamide

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=C(N=CC=C2)Cl)N

DOS

IR

Vibrations