Geometry & MOs

Info

ID:	148346
PubChem CID:	53788008
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	5.26
IP(EA), eV:	-7.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dimethoxyphenyl)-1-[3-(2-oxopropoxy)phenyl]propyl] (2S)-piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(COC1=C2C3=CC=CC=C3C=C2C=C(C=C1)C(C)C)OC

DOS

IR

Vibrations