Geometry & MOs

Info

ID:	206212
PubChem CID:	80219741
Reduced:	FNOSH6C8 (1)
Stoich.:	ABCDE6F8 (1)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluoro-5-methoxyphenyl)pyrazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)N=C=S

DOS

IR

Vibrations