Geometry & MOs

Info

ID:

412175

PubChem CID:

135085049

Reduced:

O2C13H16 (1)

Stoich.:

A2B13C16 (1)

Weight, g/mol:

235.120843

ΔHf, kcal/mol:

-65.82

Dipole, Da:

4.41

IP(EA), eV:

-8.74(0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-methoxy-N-methyl-4-(3-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CCC(C(=O)CC1)OC2=CC=CC=C2

DOS

IR

Vibrations