Geometry & MOs

Info

ID:	197239
PubChem CID:	78940146
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	317.06266
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	1.7
IP(EA), eV:	-7.78(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)CN(CC)C1=CC=C(C=C1)[C@H](C)O

DOS

IR

Vibrations