Geometry & MOs

Info

ID:	124361
PubChem CID:	50880518
Reduced:	BrO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	294.02554
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	3.23
IP(EA), eV:	-9.2(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=CC=C(O2)C=O)C)Br

DOS

IR

Vibrations