Geometry & MOs

Info

ID:	208394
PubChem CID:	80526830
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	369.08743
ΔH_f, kcal/mol:	-72.27
Dipole, Da:	1.84
IP(EA), eV:	-9.06(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNCC(=O)OC)C1=CC=CS1

DOS

IR

Vibrations