Geometry & MOs

Info

ID:	144161
PubChem CID:	53324455
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	310.181191
ΔH_f, kcal/mol:	0.65
Dipole, Da:	4.58
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-3-aza-6-azoniaspiro[5.6]dodecane;chloride

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C3=C(C=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations