Geometry & MOs

Info

ID:	256010
PubChem CID:	103136309
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	2.74
IP(EA), eV:	-8.58(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cycloheptyl(isoquinolin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC=C2CNCCOC

DOS

IR

Vibrations