Geometry & MOs

Info

ID:	175062
PubChem CID:	75850319
Reduced:	Cl2N4O4H16C19 (1)
Stoich.:	A2B4C4D16E19 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	1.85
IP(EA), eV:	-9.26(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations