Geometry & MOs

Info

ID:	268572
PubChem CID:	103600051
Reduced:	BrIO2N3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	183.100777
ΔH_f, kcal/mol:	19.85
Dipole, Da:	3.83
IP(EA), eV:	-9.66(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations