Geometry & MOs

Info

ID:	294647
PubChem CID:	117478572
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	4.34
IP(EA), eV:	-9.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-2-(cyclopropylmethoxy)phenyl]butanal

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC(=CC2=C1CCC2)Br

DOS

IR

Vibrations