Geometry & MOs

Info

ID:

380866

PubChem CID:

134971443

Reduced:

NO3C17H22 (1)

Stoich.:

AB3C17D22 (1)

Weight, g/mol:

344.094904

ΔHf, kcal/mol:

-75.46

Dipole, Da:

2.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763015

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC[C@@]([N]1)(C2=CC=CC=C2)O)CCC=C

DOS

IR

Vibrations