Geometry & MOs

Info

ID:	401390
PubChem CID:	135051130
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	473.950574
ΔH_f, kcal/mol:	-62.53
Dipole, Da:	5.4
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N(C=C2C=O)CCC=O

DOS

IR

Vibrations