Geometry & MOs

Info

ID:	256380
PubChem CID:	103138881
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	3.64
IP(EA), eV:	-8.88(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNCCOC)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations