Geometry & MOs

Info

ID:	256948
PubChem CID:	103142595
Reduced:	ClOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	3.69
IP(EA), eV:	-9.44(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-nitroisoquinolin-8-yl)morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CCl)C2=CC=CC=C2

DOS

IR

Vibrations