Geometry & MOs

Info

ID:	381688
PubChem CID:	134972487
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	2.5
IP(EA), eV:	-9.36(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-nitro-1-(2-oxopentan-3-yl)-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

C1CCCC(=NOC2CCCCO2)CCC1

DOS

IR

Vibrations