Geometry & MOs

Info

ID:	146992
PubChem CID:	53776957
Reduced:	NSO2C26H29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	306.02554
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	3.83
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-bromo-1-(4-phenylmethoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CCCCCCCC1=CN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

DOS

IR

Vibrations