Geometry & MOs

Info

ID:	229380
PubChem CID:	87567507
Reduced:	BrPF2N2O3C17H26 (1)
Stoich.:	ABC2D2E3F17G26 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-282.77
Dipole, Da:	2.2
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2-methylhexanedioic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CN2CCN(CC2)C)Br)(F)F)O

DOS

IR

Vibrations