Geometry & MOs

Info

ID:	245919
PubChem CID:	103028029
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	316.06741
ΔH_f, kcal/mol:	3.29
Dipole, Da:	1.97
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(C2CC3=CC=CC=C3S2)O

DOS

IR

Vibrations