Geometry & MOs

Info

ID:	256146
PubChem CID:	103137366
Reduced:	BrOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	2.86
IP(EA), eV:	-9.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-cycloheptyl-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CCC(C)Br

DOS

IR

Vibrations