Geometry & MOs

Info

ID:	232753
PubChem CID:	87576887
Reduced:	NC6H15 (2)
Stoich.:	AB6C15 (2)
Weight, g/mol:	518.146484
ΔH_f, kcal/mol:	91.49
Dipole, Da:	0.19
IP(EA), eV:	-2.73(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(2,5-diaminophenyl)-2-[2-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]oxyphenyl]pent-2-enoic acid

Drug info:

PubChemData

Smile

CC(CCCC[N+](C)(C)C)[N+](C)(C)C

DOS

IR

Vibrations