Geometry & MOs

Info

ID:	21246
PubChem CID:	587769
Reduced:	ClO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	375.109817
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	5.12
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurine-8-carboximidate

Drug info:

PubChemData

Smile

CCOC(=N)C1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations