Geometry & MOs

Info

ID:	307519
PubChem CID:	125307320
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	357.941209
ΔH_f, kcal/mol:	-203.38
Dipole, Da:	4.67
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(3,4-dichlorophenyl)-4H-pyrazole

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)[C@@H]1C(=O)C2=CC(=C(C=C2NC1=O)OC)OC

DOS

IR

Vibrations