Geometry & MOs

Info

ID:	271671
PubChem CID:	103687839
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	1.23
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-bromonaphthalen-2-yl)oxyethyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations