Geometry & MOs

Info

ID:	202838
PubChem CID:	79732946
Reduced:	N2O2C5H5 (2)
Stoich.:	A2B2C5D5 (2)
Weight, g/mol:	246.085621
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	9.61
IP(EA), eV:	-9.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluoro-5-methylphenyl)-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)OC2=C(C=CC(=C2)C(=O)O)OC

DOS

IR

Vibrations