Geometry & MOs

Info

ID:	84045
PubChem CID:	49863848
Reduced:	OCl3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	329.165876
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	7.23
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C(=O)NCCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)C)C)C4=CC=CC=C4.Cl

DOS

IR

Vibrations