Geometry & MOs

Info

ID:	390469
PubChem CID:	134999309
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	238.138906
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	8.56
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-trimethylsilylcyclohexa-1,4-dien-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC(=NC=C32)C4=CC=CC=C4

DOS

IR

Vibrations