Geometry & MOs

Info

ID:	13870
PubChem CID:	399481
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	37.56
Dipole, Da:	2.64
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperazin-1-yl-7,8,9,10-tetrahydrophenanthridine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCNCC4

DOS

IR

Vibrations