Geometry & MOs

Info

ID:	197704
PubChem CID:	78988584
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	2.09
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-ethyl-2-methoxy-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations