Geometry & MOs

Info

ID:	65598
PubChem CID:	46386662
Reduced:	ClFO2N4H20C23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-44.56
Dipole, Da:	4.83
IP(EA), eV:	-8.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(3-chlorophenyl)-5,6-dimethyl-4-(3-methylanilino)pyrrolo[2,3-d]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=C(N(C2=N1)C3=CC(=CC=C3)Cl)C)C)NC4=CC=C(C=C4)F

DOS

IR

Vibrations