Geometry & MOs

Info

ID:	164770
PubChem CID:	74449969
Reduced:	NO3C20H28 (1)
Stoich.:	AB3C20D28 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.910437
Charge, e:	1

Chem-info

IUPAC name:

(5-ethyl-1,3-oxazol-4-yl)-[9-[(4-propan-2-ylphenyl)methyl]-2-aza-9-azoniaspiro[4.5]decan-2-yl]methanone

Drug info:

PubChemData

Smile

COCC1=CC=C(O1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO

DOS

IR

Vibrations