Geometry & MOs

Info

ID:	287390
PubChem CID:	104239765
Reduced:	ClFON2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	322.100354
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(chloromethyl)-3-cyclopentyl-1-[(4-methylphenyl)methyl]pyrazole

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NN(C(=C2CO)Cl)CC3=CC=C(C=C3)F

DOS

IR

Vibrations