Geometry & MOs

Info

ID:	256478
PubChem CID:	103139492
Reduced:	ClON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	270.149891
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	2.8
IP(EA), eV:	-9.11(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(C(=N2)C)C(C)Cl)C

DOS

IR

Vibrations