Geometry & MOs

Info

ID:	48625
PubChem CID:	11110130
Reduced:	OC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	3.07
IP(EA), eV:	-9.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C(C=C)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations