Geometry & MOs

Info

ID:	132887
PubChem CID:	51440222
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-98.95
Dipole, Da:	17.32
IP(EA), eV:	-8.69(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC12C[NH+](C[C@@H]2C(=O)[O-])CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations