Geometry & MOs

Info

ID:

292659

PubChem CID:

117356495

Reduced:

ClNO2C12H16 (1)

Stoich.:

ABC2D12E16 (1)

Weight, g/mol:

241.086957

ΔHf, kcal/mol:

-78.97

Dipole, Da:

0.66

IP(EA), eV:

-8.6(-0.48)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[3-chloro-4-(methoxymethyl)phenyl]morpholine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2(CCCC2)N)O)Cl

DOS

IR

Vibrations