Geometry & MOs

Info

ID:	173774
PubChem CID:	75680069
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	387.249512
ΔH_f, kcal/mol:	12.48
Dipole, Da:	3.35
IP(EA), eV:	-9.21(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,2,3,4,5-pentahydroxypentyl)-5,7-di(propan-2-yl)-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)NC2CCCC3=C2C=NN3C

DOS

IR

Vibrations