Geometry & MOs

Info

ID:

177388

PubChem CID:

76179833

Reduced:

NSWC7H8 (1)

Stoich.:

ABCD7E8 (1)

Weight, g/mol:

268.121178

ΔHf, kcal/mol:

178.05

Dipole, Da:

4.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.752704

Charge, e:

 0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-4-hydroxy-4aH-benzo[h]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=[C-]1)S)C.[W+2]

DOS

IR

Vibrations