Geometry & MOs

Info

ID:	217489
PubChem CID:	85087896
Reduced:	SiO3C21H40 (1)
Stoich.:	AB3C21D40 (1)
Weight, g/mol:	368.115237
ΔH_f, kcal/mol:	-239.31
Dipole, Da:	0.76
IP(EA), eV:	-8.91(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(4-chlorophenyl)-2-cyano-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(=CC1)CC2C(COC(O2)(C)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations