Geometry & MOs

Info

ID:	266741
PubChem CID:	103579257
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	2.68
IP(EA), eV:	-9.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-pent-1-yn-3-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations