Geometry & MOs

Info

ID:	178256
PubChem CID:	76305550
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	351.02925
ΔH_f, kcal/mol:	-162.1
Dipole, Da:	1.99
IP(EA), eV:	-8.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)-N-cyclohexyl-N-prop-2-ynylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3CCC(NC3=O)C4=CC=CO4

DOS

IR

Vibrations