Geometry & MOs

Info

ID:	144969
PubChem CID:	53442008
Reduced:	INOSC15H20 (1)
Stoich.:	ABCDE15F20 (1)
Weight, g/mol:	379.210721
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	15.17
IP(EA), eV:	-6.88(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-morpholin-4-ylpropyl)-5-nitro-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC[N+]1=C(SC2=C1C=C(C=C2)C)C=C(C)CCO.[I-]

DOS

IR

Vibrations