Geometry & MOs

Info

ID:	209112
PubChem CID:	80626426
Reduced:	SN3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	345.08743
ΔH_f, kcal/mol:	24.07
Dipole, Da:	3.91
IP(EA), eV:	-8.57(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCCS1)C2=CC=NN2C

DOS

IR

Vibrations