Geometry & MOs

Info

ID:

380891

PubChem CID:

134971481

Reduced:

NOH16C18 (1)

Stoich.:

ABC16D18 (1)

Weight, g/mol:

262.123189

ΔHf, kcal/mol:

42.18

Dipole, Da:

4.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.111164

Charge, e:

 1

Chem-info

IUPAC name:

5-phenyl-3a,4,5,5a-tetrahydropyrrolo[1,2-a]quinolin-10-ium-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[CH+]CC2C=CC(=O)N2C3=CC=CC=C3

DOS

IR

Vibrations