Geometry & MOs

Info

ID:	256228
PubChem CID:	103137862
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	24.01
Dipole, Da:	3.52
IP(EA), eV:	-8.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1CCCCC1CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations