Geometry & MOs

Info

ID:	304054
PubChem CID:	124491747
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	2.26
IP(EA), eV:	-8.62(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(1R)-1-propoxyethyl]benzene

Drug info:

PubChemData

Smile

C1CNCCN(C1)C[C@@H](CN2C=CC=N2)O

DOS

IR

Vibrations