Geometry & MOs

Info

ID:

442326

PubChem CID:

135251362

Reduced:

NOC6H10 (1)

Stoich.:

ABC6D10 (1)

Weight, g/mol:

202.159188

ΔHf, kcal/mol:

-31.51

Dipole, Da:

4.84

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.767459

Charge, e:

0

Chem-info

IUPAC name:

N-[5-(dimethylamino)-6-oxohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC[15N+](=CC1)[13CH]=O

DOS

IR

Vibrations