Geometry & MOs

Info

ID:	310379
PubChem CID:	126579456
Reduced:	ION4H7C8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	317.028183
ΔH_f, kcal/mol:	82.11
Dipole, Da:	7.06
IP(EA), eV:	-9.97(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(difluoromethylsulfanyl)-6-nitrophenyl]methoxy]-1-hydroxypyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)N=NN2)I

DOS

IR

Vibrations