Geometry & MOs

Info

ID:	170316
PubChem CID:	75216187
Reduced:	NOPH30C31 (1)
Stoich.:	ABCD30E31 (1)
Weight, g/mol:	417.226371
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	4.77
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-diethyl-6-oxo-5H-pyrimidin-2-yl)-N,N-bis(2-hydroxyethyl)-4-propoxybenzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(NC2=O)P3CC4=C(C5=CC=CC=C5C=C4)C6=C(C3)C=CC7=CC=CC=C76

DOS

IR

Vibrations