Geometry & MOs

Info

ID:	397379
PubChem CID:	135030132
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	246.143992
ΔH_f, kcal/mol:	-183.45
Dipole, Da:	2.09
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-dimethyl-2-(2-trimethylsilylethynyl)cyclohexa-1,4-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)CC[C@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations