Geometry & MOs

Info

ID:	403572
PubChem CID:	135060898
Reduced:	BSSiO2C20H29 (1)
Stoich.:	ABCD2E20F29 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-162.06
Dipole, Da:	3.08
IP(EA), eV:	-8.54(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(Z)-3-methylidenenon-1-enyl]pyrazole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H](CC2=CSC=C2)[Si](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations