Geometry & MOs

Info

ID:	59587
PubChem CID:	24875344
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	1252.443472
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	3.97
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methoxy]ethyl-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl]-dimethylazanium;naphthalene-1,5-disulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=C(N2)C(=O)O)CCCN

DOS

IR

Vibrations