Geometry & MOs

Info

ID:	68561
PubChem CID:	46508649
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	3.78
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations