Geometry & MOs

Info

ID:

149289

PubChem CID:

53788961

Reduced:

ON3C10H18 (1)

Stoich.:

AB3C10D18 (1)

Weight, g/mol:

214.110613

ΔHf, kcal/mol:

21.9

Dipole, Da:

3.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.252736

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-4H-pyrimido[1,2-a]indol-10-ol

Drug info:

PubChemData

Smile

C=[N+](C1CNC1=O)N2CCCCCC2

DOS

IR

Vibrations