Geometry & MOs

Info

ID:	222439
PubChem CID:	85300741
Reduced:	NF3O7C11H14 (1)
Stoich.:	AB3C7D11E14 (1)
Weight, g/mol:	328.10379
ΔH_f, kcal/mol:	-457.58
Dipole, Da:	1.42
IP(EA), eV:	-10.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-[methoxy(prop-2-ynoxy)methyl]-7,7a-dimethyl-3,3a,4,5,6,7-hexahydro-1H-indene

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(CC1(C(=O)OC)NC(=O)C(F)(F)F)O)O

DOS

IR

Vibrations