Geometry & MOs

Info

ID:	342645
PubChem CID:	127265805
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	3.58
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromophenyl)prop-2-enyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC=CC1=CC=C(C=C1)Br)C(=O)C2CCOCC2

DOS

IR

Vibrations