Geometry & MOs

Info

ID:

25521

PubChem CID:

626112

Reduced:

ON4C17H17 (1)

Stoich.:

AB4C17D17 (1)

Weight, g/mol:

292.106357

ΔHf, kcal/mol:

96.34

Dipole, Da:

3.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966627

Charge, e:

 0

Chem-info

IUPAC name:

5-(difluoromethyl)pentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11(19),12,14,16-octaene

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N[N+]#N

DOS

IR

Vibrations