Geometry & MOs

Info

ID:	197935
PubChem CID:	79018447
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	244.00989
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	2.91
IP(EA), eV:	-8.46(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromo-4-methoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCOC(=N)C1=C(C=C(C=C1)C)Br

DOS

IR

Vibrations