Geometry & MOs

Info

ID:	17986
PubChem CID:	531727
Reduced:	O3C25H42 (1)
Stoich.:	A3B25C42 (1)
Weight, g/mol:	390.313395
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	3.04
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl 2-methoxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations