Geometry & MOs

Info

ID:	299045
PubChem CID:	117669994
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	339.0041
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	1.83
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(5-bromo-2-methylpyrimidin-4-yl)thiophen-2-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C(C=C1OC(=O)NN)/C=C/C2=CC=CC=C2)OC)C

DOS

IR

Vibrations