Geometry & MOs

Info

ID:	256987
PubChem CID:	103142913
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	4.87
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-8-(2-pyrrolidin-3-ylethoxy)isoquinoline

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations