Geometry & MOs

Info

ID:

25714

PubChem CID:

629533

Reduced:

IO2N6C17H18 (1)

Stoich.:

AB2C6D17E18 (1)

Weight, g/mol:

323.1674

ΔHf, kcal/mol:

64.95

Dipole, Da:

8.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.363063

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-anthracen-9-ylethenyl)-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C.I

DOS

IR

Vibrations