Geometry & MOs

Info

ID:	396936
PubChem CID:	135029483
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	28.18
Dipole, Da:	2.6
IP(EA), eV:	-9.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(chloromethyl)naphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=CC=CC=C1)C(C)(C)N=[N+]=[N-]

DOS

IR

Vibrations