Geometry & MOs

Info

ID:	256477
PubChem CID:	103139491
Reduced:	ClNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	256.134241
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	3.11
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-chloroethyl)-3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations