Geometry & MOs

Info

ID:	397134
PubChem CID:	135029775
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	308.159642
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	2.63
IP(EA), eV:	-8.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@@H](N(C2=O)CC=C)C3=CC=C(C=C3)C#N)OC

DOS

IR

Vibrations