Geometry & MOs

Info

ID:

410293

PubChem CID:

135083084

Reduced:

NO3C16H24 (1)

Stoich.:

AB3C16D24 (1)

Weight, g/mol:

136.019035

ΔHf, kcal/mol:

-110.56

Dipole, Da:

4.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.186734

Charge, e:

 0

Chem-info

IUPAC name:

[1,3]azaphospholo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCCC(=O)[N+](=CC1=C(C=CC(=C1)OC)OC)C(C)C

DOS

IR

Vibrations