Geometry & MOs

Info

ID:	440149
PubChem CID:	135230050
Reduced:	ON3C25H43 (1)
Stoich.:	AB3C25D43 (1)
Weight, g/mol:	423.361348
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	2.93
IP(EA), eV:	-8.39(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,3,4,6,9,9a-hexahydro-1H-quinolizin-4-ylmethyl)-4-[(2-methyl-1-azabicyclo[4.2.0]octan-7-yl)methyl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine

Drug info:

PubChemData

Smile

CC1CCN2CCC(C2C1)CC3CCNC4C3CCC4CC5COCC6(N5)CC6

DOS

IR

Vibrations