Geometry & MOs

Info

ID:	132886
PubChem CID:	51439977
Reduced:	N2O3H31C32 (1)
Stoich.:	A2B3C31D32 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	8.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769194
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[(3-chlorophenyl)methyl]-8-oxa-2-azoniaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C)[O-]

DOS

IR

Vibrations