Geometry & MOs

Info

ID:	397068
PubChem CID:	135029675
Reduced:	ON2H30C32 (1)
Stoich.:	AB2C30D32 (1)
Weight, g/mol:	386.07015
ΔH_f, kcal/mol:	57.96
Dipole, Da:	3.3
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2N(C1)C(=O)C3=CC=CC=C3N2C4=CC=CC=C4)(CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations