Geometry & MOs

Info

ID:	28093
PubChem CID:	825488
Reduced:	ClN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	2.07
IP(EA), eV:	-9.19(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(2-methoxyanilino)-5-[(2S)-pentan-2-yl]-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations