Geometry & MOs

Info

ID:	255262
PubChem CID:	103131009
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	48.0
Dipole, Da:	2.92
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CSC1=CC=CC=C1Cl)C2=NN(C=C2)C

DOS

IR

Vibrations