Geometry & MOs

Info

ID:	232665
PubChem CID:	87576670
Reduced:	ClON6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	540.09591
ΔH_f, kcal/mol:	12.45
Dipole, Da:	6.95
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-bromo-4-methyl-1,3-benzodioxol-5-yl)methyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C[C@H](C3=C2N=C(N=C3Cl)N)CN

DOS

IR

Vibrations