Geometry & MOs

Info

ID:	202766
PubChem CID:	79722952
Reduced:	BrN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	356.03427
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	6.91
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-fluorophenyl)-chloromethyl]adamantane

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)NC(=O)C1=C(C=C(C=C1)Br)N

DOS

IR

Vibrations