Geometry & MOs

Info

ID:	343781
PubChem CID:	127266957
Reduced:	FSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	4.01
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=NN3)F

DOS

IR

Vibrations