Geometry & MOs

Info

ID:	312262
PubChem CID:	126603947
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-119.72
Dipole, Da:	2.65
IP(EA), eV:	-9.49(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethylhexyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate

Drug info:

PubChemData

Smile

CCCCC(=O)OCNCC

DOS

IR

Vibrations