Geometry & MOs

Info

ID:	165085
PubChem CID:	74498747
Reduced:	FO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	494.242174
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	7.24
IP(EA), eV:	-9.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[[6-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C=CC(=O)N1CCC2=NN=C(N2CC1)CNC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations