Geometry & MOs

Info

ID:	256197
PubChem CID:	103137654
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	1.78
IP(EA), eV:	-9.05(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-propoxypropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC[C@@H](C2)O

DOS

IR

Vibrations