Geometry & MOs

Info

ID:	122410
PubChem CID:	50805435
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	400.04226
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	5.52
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations