Geometry & MOs

Info

ID:	256985
PubChem CID:	103142908
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	15.19
Dipole, Da:	3.72
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitroisoquinolin-8-yl)oxymethyl]morpholine

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations