Geometry & MOs

Info

ID:	263920
PubChem CID:	103407657
Reduced:	ClNOSC10H16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	311.122297
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	1.04
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophen-2-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(CCCOC)N

DOS

IR

Vibrations