Geometry & MOs

Info

ID:	257088
PubChem CID:	103143680
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	276.075491
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	3.74
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dithian-2-yl(isoquinolin-8-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C(OC)OC

DOS

IR

Vibrations