Geometry & MOs

Info

ID:	256544
PubChem CID:	103139838
Reduced:	ClNOC14H26 (1)
Stoich.:	ABCD14E26 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	2.91
IP(EA), eV:	-8.99(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-aminoisoquinolin-8-yl)oxypropan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CCl)NCC2CCC(O2)C

DOS

IR

Vibrations