Geometry & MOs

Info

ID:	46268
PubChem CID:	10523610
Reduced:	SiN2O2C21H36 (1)
Stoich.:	AB2C2D21E36 (1)
Weight, g/mol:	376.145474
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	2.68
IP(EA), eV:	-9.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@H](C1)[C@H](C2=NC(=CC=C2)C(=N)OC)O[Si](C)(C)C)C(C)C

DOS

IR

Vibrations