Geometry & MOs

Info

ID:	263930
PubChem CID:	103408345
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	289.032813
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	2.63
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OCCCOCCOC)C

DOS

IR

Vibrations