Geometry & MOs

Info

ID:	142107
PubChem CID:	52982735
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	225.030504
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	3.06
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(C(=O)C2=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations