Geometry & MOs

Info

ID:	149404
PubChem CID:	53789077
Reduced:	SN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	609.406075
ΔH_f, kcal/mol:	61.34
Dipole, Da:	2.1
IP(EA), eV:	-8.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations