Geometry & MOs

Info

ID:	255152
PubChem CID:	103130380
Reduced:	ClFON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	6.59
IP(EA), eV:	-9.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(4-phenyloxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations