Geometry & MOs

Info

ID:	294821
PubChem CID:	117498532
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	33.89
Dipole, Da:	1.12
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-2-(cyclobutylmethoxy)-5-methylphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=C(C=C1)C2=C(ON=C2)N)Br

DOS

IR

Vibrations