Geometry & MOs

Info

ID:	82303
PubChem CID:	49855871
Reduced:	O6C23H36 (1)
Stoich.:	A6B23C36 (1)
Weight, g/mol:	436.282489
ΔH_f, kcal/mol:	-289.6
Dipole, Da:	4.86
IP(EA), eV:	-8.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diheptyl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)OCCCCCC

DOS

IR

Vibrations