Geometry & MOs

Info

ID:	65608
PubChem CID:	46386672
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	5.08
IP(EA), eV:	-8.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations