Geometry & MOs

Info

ID:	397135
PubChem CID:	135029776
Reduced:	OSiC20H24 (1)
Stoich.:	ABC20D24 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	3.36
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-benzyltriazol-4-yl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(CC(=C(C1)C#C[Si](C)(C)C)C(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations