Geometry & MOs

Info

ID:	310066
PubChem CID:	126573599
Reduced:	SN5O5C28H37 (1)
Stoich.:	AB5C5D28E37 (1)
Weight, g/mol:	345.121237
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	5.48
IP(EA), eV:	-8.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(7-hydroxy-6-methoxycarbonylnaphthalen-1-yl)oxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCCN2C3=NC(=NC=C3C=C(C2=O)C4=CC(=CC(=C4)OC)OC)SC

DOS

IR

Vibrations