Geometry & MOs

Info

ID:	256679
PubChem CID:	103140623
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	61.82
Dipole, Da:	2.34
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitroisoquinolin-8-yl)piperidin-4-one

Drug info:

PubChemData

Smile

C1CCC(=CC1)CC(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations