Geometry & MOs

Info

ID:	394718
PubChem CID:	135023623
Reduced:	BrNO2H18C23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	318.201507
ΔH_f, kcal/mol:	18.16
Dipole, Da:	3.85
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[tert-butyl(dimethyl)silyl]pent-4-ynylidene]-3-ethoxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O)OC)Br

DOS

IR

Vibrations