Geometry & MOs

Info

ID:	229795
PubChem CID:	87569083
Reduced:	N2O3F6H22C23 (1)
Stoich.:	A2B3C6D22E23 (1)
Weight, g/mol:	284.27153
ΔH_f, kcal/mol:	-429.85
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyloctyl hexanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=O)N(C2C(=O)NC(C)(C)C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations