Geometry & MOs

Info

ID:	24231
PubChem CID:	608560
Reduced:	BrO2C24H39 (1)
Stoich.:	AB2C24D39 (1)
Weight, g/mol:	438.21334
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	3.22
IP(EA), eV:	-9.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl 3-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations