Geometry & MOs

Info

ID:	256096
PubChem CID:	103136965
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	80.95
Dipole, Da:	2.94
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-4-methoxy-3-methyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC2=C1C=NC=C2)C3=CSC=N3

DOS

IR

Vibrations