Geometry & MOs

Info

ID:	230182
PubChem CID:	87570369
Reduced:	ClN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	419.953589
ΔH_f, kcal/mol:	55.94
Dipole, Da:	5.71
IP(EA), eV:	-8.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC(=C2)C3=NC(=NC=C3)Cl

DOS

IR

Vibrations