Geometry & MOs

Info

ID:	255289
PubChem CID:	103131157
Reduced:	FN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	243.08639
ΔH_f, kcal/mol:	30.12
Dipole, Da:	3.69
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dithian-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=NC=C(C=C2)F)N

DOS

IR

Vibrations