Geometry & MOs

Info

ID:	21487
PubChem CID:	588640
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	3.05
IP(EA), eV:	-8.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-naphthalen-1-yl-3-oxabicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC12CCOCC1C2C(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations