Geometry & MOs

Info

ID:	256147
PubChem CID:	103137368
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	30.71
Dipole, Da:	4.02
IP(EA), eV:	-8.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1,1-dioxothian-4-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN(C1CCCCCC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations