Geometry & MOs

Info

ID:	180013
PubChem CID:	76567042
Reduced:	NO2H13C15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	2.54
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]ethyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=C(C=C4)[N+]#[C-])CCCC(=O)O

DOS

IR

Vibrations