Geometry & MOs

Info

ID:	146563
PubChem CID:	53705695
Reduced:	Si2N3O4C27H51 (1)
Stoich.:	A2B3C4D27E51 (1)
Weight, g/mol:	372.206245
ΔH_f, kcal/mol:	-277.68
Dipole, Da:	0.83
IP(EA), eV:	-8.77(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-6-(5-methyl-1-phenylpyrazol-4-yl)piperidin-4-yl]-5H-pyrrolo[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCN1C=C(C=N1)C[C@@H]2C[C@H](CN2C(=O)OCC=C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations