Geometry & MOs

Info

ID:	198290
PubChem CID:	79081049
Reduced:	ClFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	2.24
IP(EA), eV:	-9.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-propylpyrazol-4-yl)cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OC2=NC(=NC=C2F)Cl)C

DOS

IR

Vibrations