Geometry & MOs

Info

ID:	334409
PubChem CID:	127252961
Reduced:	N2O6H14C17 (1)
Stoich.:	A2B6C14D17 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-212.8
Dipole, Da:	8.55
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-benzylmethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC(=C(C=C3)O)C(=O)N)CC(=O)O)C(=O)N1

DOS

IR

Vibrations