Geometry & MOs

Info

ID:	193321
PubChem CID:	78375684
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	5.7
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-(3,5-dimethylphenyl)-4-methyl-1,3-dioxo-4a,7,8,9a-tetrahydropurino[7,8-a]imidazol-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CCN3C2=NC4C3C(=O)N(C(=O)N4C)CC5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations