Geometry & MOs

Info

ID:	284556
PubChem CID:	104052024
Reduced:	BrNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	4.45
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(CCCCC(=O)OC)N)C)Br

DOS

IR

Vibrations