Geometry & MOs

Info

ID:	166566
PubChem CID:	74710854
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	6.88
IP(EA), eV:	-8.75(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations