Geometry & MOs

Info

ID:	65601
PubChem CID:	46386665
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	1.19
Dipole, Da:	5.69
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-ethylanilino)-5,6-dimethyl-7-phenylpyrrolo[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(=CC=C4)Cl

DOS

IR

Vibrations