Geometry & MOs

Info

ID:	411565
PubChem CID:	135084397
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	270.02554
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	2.08
IP(EA), eV:	-10.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromobutoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C=C=CC1CCCCC1

DOS

IR

Vibrations