Geometry & MOs

Info

ID:

400561

PubChem CID:

135048324

Reduced:

NO4C20H30 (1)

Stoich.:

AB4C20D30 (1)

Weight, g/mol:

75.095734

ΔHf, kcal/mol:

-104.75

Dipole, Da:

3.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.821608

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(OCCO1)CC[N+]23CCCC2C4=CC(=C(C=C4CC3)OC)OC

DOS

IR

Vibrations