Geometry & MOs

Info

ID:	397907
PubChem CID:	135030944
Reduced:	NSiO4C21H39 (1)
Stoich.:	ABC4D21E39 (1)
Weight, g/mol:	341.89253
ΔH_f, kcal/mol:	-231.6
Dipole, Da:	2.85
IP(EA), eV:	-8.99(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-5,6,6-trimethoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(CCC1=NC(=CO1)C(=C)C)C[C@@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations