Geometry & MOs

Info

ID:	225743
PubChem CID:	87225612
Reduced:	PO5F6C7H8 (1)
Stoich.:	AB5C6D7E8 (1)
Weight, g/mol:	440.303893
ΔH_f, kcal/mol:	-575.35
Dipole, Da:	1.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758805
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-2-methyl-8-naphthalen-1-yloxyoct-6-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC(F)(F)F)(CC(F)(F)F)O[P+](=O)O

DOS

IR

Vibrations