Geometry & MOs

Info

ID:	257004
PubChem CID:	103143008
Reduced:	NOSC18H19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	240.064726
ΔH_f, kcal/mol:	7.68
Dipole, Da:	3.81
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-imidazol-1-yl-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations