Geometry & MOs

Info

ID:

150239

PubChem CID:

53789926

Reduced:

NC30H56 (1)

Stoich.:

AB30C56 (1)

Weight, g/mol:

201.078979

ΔHf, kcal/mol:

-40.43

Dipole, Da:

1.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787414

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-ethyl-3-oxoinden-2-yl)formamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)C1=CC=CC=C1

DOS

IR

Vibrations