Geometry & MOs

Info

ID:	308267
PubChem CID:	125325179
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	2.67
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3H-pyrazole

Drug info:

PubChemData

Smile

C/C(=N/NC1=CC=C(C=C1)Cl)/C2C(=O)NC(=O)NC2=O

DOS

IR

Vibrations