Geometry & MOs

Info

ID:	312546
PubChem CID:	126606403
Reduced:	O5C33H42 (1)
Stoich.:	A5B33C42 (1)
Weight, g/mol:	590.397125
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	5.47
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2-ethyl-5-propan-2-ylphenyl)-2-oxochromen-7-yl]oxy-2,4-dimethylpentan-2-yl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCCCC(C)C(C)CCCOC(=O)C=C)OC2=O

DOS

IR

Vibrations