Geometry & MOs

Info

ID:	221935
PubChem CID:	85292888
Reduced:	BrSiO3C18H31 (1)
Stoich.:	ABC3D18E31 (1)
Weight, g/mol:	404.183503
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	2.99
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxycarbonyl-12-(methoxymethoxy)-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C=O)C(=C)CC(C1C(O1)CC(=C)Br)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations