Geometry & MOs

Info

ID:	181498
PubChem CID:	76750954
Reduced:	F3O3N5C21H22 (1)
Stoich.:	A3B3C5D21E22 (1)
Weight, g/mol:	683.548874
ΔH_f, kcal/mol:	-215.27
Dipole, Da:	12.05
IP(EA), eV:	-9.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 8-(2-ethyl-4-hydroxypyrrolidin-1-yl)-8-oxooctanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)N=C(N)N)C(F)(F)F)C2CCN(CC2)C(=O)C3C=CC(=O)N=C3

DOS

IR

Vibrations