Geometry & MOs

Info

ID:	421703
PubChem CID:	135116447
Reduced:	N2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	42.58
Dipole, Da:	3.28
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C1=CN=CC=C1)N(C)CC2=NC(=NC=C2)CC

DOS

IR

Vibrations