Geometry & MOs

Info

ID:	208379
PubChem CID:	80526815
Reduced:	NO2S2C13H23 (1)
Stoich.:	AB2C2D13E23 (1)
Weight, g/mol:	355.07178
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	5.0
IP(EA), eV:	-8.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-5-ethyl-2-methylpyrazol-3-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCNCC(C)(C)C1=CC=CS1

DOS

IR

Vibrations