Geometry & MOs

Info

ID:	256148
PubChem CID:	103137370
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	7.58
IP(EA), eV:	-8.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-bicyclo[3.1.0]hexanyl(isoquinolin-8-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations