Geometry & MOs

Info

ID:	437608
PubChem CID:	135226655
Reduced:	ON2C6H13 (2)
Stoich.:	AB2C6D13 (2)
Weight, g/mol:	151.1361
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	6.48
IP(EA), eV:	-9.55(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1,2,3,4,4a,5,8,8a-octahydroisoquinoline

Drug info:

PubChemData

Smile

CC(C)(CC(C)(C)NC(=O)NC)CNC(=O)NC

DOS

IR

Vibrations