Geometry & MOs

Info

ID:

406617

PubChem CID:

135078172

Reduced:

NOH14C17 (1)

Stoich.:

ABC14D17 (1)

Weight, g/mol:

295.926733

ΔHf, kcal/mol:

116.35

Dipole, Da:

2.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.016015

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=[N+](C=C1)CC#CC2=CC=CC=C2C#C

DOS

IR

Vibrations