Geometry & MOs

Info

ID:	221194
PubChem CID:	85257205
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	294.143992
ΔH_f, kcal/mol:	37.23
Dipole, Da:	1.87
IP(EA), eV:	-8.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-5-(3-trimethylsilylprop-2-ynyl)cyclohexa-1,3-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C=CCC1=CC=CC=C1NN=CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations