Geometry & MOs

Info

ID:	223395
PubChem CID:	85334963
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	11.93
Dipole, Da:	5.18
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-7-(4-methylphenyl)-4-oxo-4aH-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2C3CCC(CC3NN2)SC4=CC=CC=C4

DOS

IR

Vibrations