Geometry & MOs

Info

ID:	185518
PubChem CID:	77309030
Reduced:	ClNO6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	404.176775
ΔH_f, kcal/mol:	-280.62
Dipole, Da:	4.89
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-chloro-4-methylphenyl)-N-(3-methylbutan-2-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)O.Cl

DOS

IR

Vibrations