Geometry & MOs

Info

ID:	122411
PubChem CID:	50805436
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	375.98811
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	3.81
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations