Geometry & MOs

Info

ID:	391890
PubChem CID:	135010640
Reduced:	OSi2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	1.59
IP(EA), eV:	-8.62(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-enoyl]-5,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C[C@H]([C@@H](C=C1[Si](C)(C)C)CC#C)C=C

DOS

IR

Vibrations