Geometry & MOs

Info

ID:	162292
PubChem CID:	57394201
Reduced:	ClO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	286.116486
ΔH_f, kcal/mol:	17.8
Dipole, Da:	2.54
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations