Geometry & MOs

Info

ID:	197993
PubChem CID:	79026715
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	6.71
IP(EA), eV:	-9.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N2CC(=O)NC(=O)C2)Br)N

DOS

IR

Vibrations