Geometry & MOs

Info

ID:	293663
PubChem CID:	117395302
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	2.92
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-methoxyphenyl)butanal

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C(C)CO)OCCO2)Cl

DOS

IR

Vibrations