Geometry & MOs

Info

ID:	256946
PubChem CID:	103142579
Reduced:	ClOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	2.19
IP(EA), eV:	-9.63(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4,5-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C)CCl

DOS

IR

Vibrations