Geometry & MOs

Info

ID:	418644
PubChem CID:	135106495
Reduced:	O3N5C21H35 (1)
Stoich.:	A3B5C21D35 (1)
Weight, g/mol:	355.118651
ΔH_f, kcal/mol:	-103.06
Dipole, Da:	1.95
IP(EA), eV:	-8.69(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(5-chloro-2-methoxybenzoyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCC3(CC2)CN(C(=O)CCO3)CCN4CCOCC4)C

DOS

IR

Vibrations