Geometry & MOs

Info

ID:	403855
PubChem CID:	135062207
Reduced:	BSiO2C22H39 (1)
Stoich.:	ABC2D22E39 (1)
Weight, g/mol:	440.155849
ΔH_f, kcal/mol:	-226.02
Dipole, Da:	2.47
IP(EA), eV:	-9.04(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-3-(4-methylphenyl)sulfonyl-2-phenyl-10bH-pyrazolo[5,1-a]isoquinoline

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CCCCCCC)[Si](C)(C)C2=CC=CC=C2

DOS

IR

Vibrations