Geometry & MOs

Info

ID:	35981
PubChem CID:	7980594
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	5.18
IP(EA), eV:	-8.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(naphthalene-2-carbonyloxy)acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

DOS

IR

Vibrations