Geometry & MOs

Info

ID:	368494
PubChem CID:	127329112
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	2.64
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5-ethylthiophen-2-yl)-2-(oxan-4-yloxy)acetamide

Drug info:

PubChemData

Smile

CC(C)N(C1=NC=C(C=C1)Br)C(=O)COC2CCOCC2

DOS

IR

Vibrations