Geometry & MOs

Info

ID:	255264
PubChem CID:	103131018
Reduced:	BrSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	325.02483
ΔH_f, kcal/mol:	65.2
Dipole, Da:	3.09
IP(EA), eV:	-8.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CSC1=CC=CC=C1Br)C2=NN(C=C2)C

DOS

IR

Vibrations