Geometry & MOs

Info

ID:

138572

PubChem CID:

52385871

Reduced:

OSN5C8H14 (1)

Stoich.:

ABC5D8E14 (1)

Weight, g/mol:

197.120449

ΔHf, kcal/mol:

7.66

Dipole, Da:

14.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756189

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2,3-dimethyl-1,2-dihydrobenzo[e]indole

Drug info:

PubChemData

Smile

C1C[NH2+]CCC1NC(=O)NC2=NN=CS2

DOS

IR

Vibrations