Geometry & MOs

Info

ID:

187351

PubChem CID:

77562628

Reduced:

FN4O4C30H35 (1)

Stoich.:

AB4C4D30E35 (1)

Weight, g/mol:

535.272059

ΔHf, kcal/mol:

-141.87

Dipole, Da:

7.73

IP(EA), eV:

 -9.01(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-tert-butyl-4-[[4-[[6-(3-fluorophenoxy)pyridine-3-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CC[N+]1(C(=O)[O-])C(C)(C)C)CC2=CC=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)OC4=CC(=CC=C4)F

DOS

IR

Vibrations