Geometry & MOs

Info

ID:	256578
PubChem CID:	103139973
Reduced:	ClNOC10H20 (1)
Stoich.:	ABCD10E20 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	1.25
IP(EA), eV:	-9.02(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(oxan-4-ylmethoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)C(C)CCl

DOS

IR

Vibrations