Geometry & MOs

Info

ID:	324013
PubChem CID:	126676761
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-192.65
Dipole, Da:	3.73
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-piperidin-4-ylphenoxy)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)OC3=CC=CC(=C3)C(=O)OC

DOS

IR

Vibrations