Geometry & MOs

Info

ID:

6035

PubChem CID:

14325

Reduced:

ClNOC11H18 (1)

Stoich.:

ABCD11E18 (1)

Weight, g/mol:

215.107692

ΔHf, kcal/mol:

-42.49

Dipole, Da:

13.35

IP(EA), eV:

-8.55(-0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

diethyl-(3-hydroxyphenyl)-methylazanium;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations