Geometry & MOs

Info

ID:

85494

PubChem CID:

49876056

Reduced:

ClNOC10H15 (1)

Stoich.:

ABCD10E15 (1)

Weight, g/mol:

200.084217

ΔHf, kcal/mol:

-10.35

Dipole, Da:

2.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

3-butoxyaniline;chloride

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)N.[Cl-]

DOS

IR

Vibrations