Geometry & MOs

Info

ID:

221072

PubChem CID:

85256724

Reduced:

N7C13H18 (1)

Stoich.:

A7B13C18 (1)

Weight, g/mol:

271.214744

ΔHf, kcal/mol:

110.35

Dipole, Da:

7.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.167610

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-hydroxydodecyl)oxirane-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC[N+]1=C(C2=CC3=NNN=C3N=C2N=C1)N

DOS

IR

Vibrations