Geometry & MOs

Info

ID:	257021
PubChem CID:	103143116
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	4.88
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-isoquinolin-8-yl-5-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=CC=CC(=C2)N

DOS

IR

Vibrations