Geometry & MOs

Info

ID:	297808
PubChem CID:	117632467
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	4.43
IP(EA), eV:	-9.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6-hydroxynaphthalen-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)S

DOS

IR

Vibrations