Geometry & MOs

Info

ID:	256582
PubChem CID:	103140002
Reduced:	ClNOC11H22 (1)
Stoich.:	ABCD11E22 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	2.91
IP(EA), eV:	-9.02(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-propoxyethoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCCC(CNCC1CCC(O1)C)Cl

DOS

IR

Vibrations