Geometry & MOs

Info

ID:	255263
PubChem CID:	103131016
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	339.04048
ΔH_f, kcal/mol:	44.66
Dipole, Da:	8.98
IP(EA), eV:	-7.76(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)sulfanyl-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(CSC1=CC=C(C=C1)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations