Geometry & MOs

Info

ID:	255513
PubChem CID:	103132647
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	2.93
IP(EA), eV:	-8.58(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-isoquinolin-8-ylcycloheptyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)N)Br

DOS

IR

Vibrations