Geometry & MOs

Info

ID:	65602
PubChem CID:	46386666
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	5.1
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=C3C(=C(N(C3=NC(=N2)C(=O)OCC)C4=CC=CC=C4)C)C

DOS

IR

Vibrations