Geometry & MOs

Info

ID:	209832
PubChem CID:	80728753
Reduced:	OF2N6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	341.05613
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	3.22
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-bromopyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)OC(F)F)N

DOS

IR

Vibrations