Geometry & MOs

Info

ID:	174951
PubChem CID:	75837358
Reduced:	ON3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	356.257612
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	6.17
IP(EA), eV:	-6.43(0.69)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)[NH+]=C(C=C2C)NCC[NH+]3CCCC(C3)CO

DOS

IR

Vibrations