Geometry & MOs

Info

ID:	175760
PubChem CID:	75943882
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	451.153693
ΔH_f, kcal/mol:	-8.09
Dipole, Da:	6.89
IP(EA), eV:	-8.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-benzyl-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1,3-diaza-9-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NCC(C4=CC=C(O4)C)N5CCCC5

DOS

IR

Vibrations