Geometry & MOs

Info

ID:	255306
PubChem CID:	103131267
Reduced:	S2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	271.11769
ΔH_f, kcal/mol:	32.92
Dipole, Da:	1.69
IP(EA), eV:	-8.6(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(SCCS1)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations