Geometry & MOs

Info

ID:	148239
PubChem CID:	53787901
Reduced:	O4N5C21H33 (1)
Stoich.:	A4B5C21D33 (1)
Weight, g/mol:	329.112404
ΔH_f, kcal/mol:	-2.84
Dipole, Da:	4.28
IP(EA), eV:	-8.91(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(1-methylpyrazol-3-yl)oxy-(2-nitrophenyl)methoxy]pyrazole

Drug info:

PubChemData

Smile

CC.CC.CC.CN1C=CC(=N1)OC(C2=CC=CC=C2[N+](=O)[O-])OC3=NN(C=C3)C

DOS

IR

Vibrations