Geometry & MOs

Info

ID:	299382
PubChem CID:	117682762
Reduced:	O5C25H34 (1)
Stoich.:	A5B25C34 (1)
Weight, g/mol:	302.01537
ΔH_f, kcal/mol:	-175.22
Dipole, Da:	2.01
IP(EA), eV:	-8.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCCCOC(C1=CC(=C(C=C1)O)OC)C(C)OC2=C(C=C(C=C2C)CC=C)OC

DOS

IR

Vibrations