Geometry & MOs

Info

ID:	317906
PubChem CID:	126647539
Reduced:	ClNC3H7 (2)
Stoich.:	ABC3D7 (2)
Weight, g/mol:	660.475375
ΔH_f, kcal/mol:	4.2
Dipole, Da:	3.99
IP(EA), eV:	-9.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CNCl)NCl

DOS

IR

Vibrations