Geometry & MOs

Info

ID:	313933
PubChem CID:	126619068
Reduced:	ClO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	255.077454
ΔH_f, kcal/mol:	33.4
Dipole, Da:	1.28
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C#CC3=CC(=CC=C3)Cl)C4CC(C4)C(=O)O

DOS

IR

Vibrations