Geometry & MOs

Info

ID:	320318
PubChem CID:	126659507
Reduced:	FN2O4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-203.3
Dipole, Da:	5.33
IP(EA), eV:	-9.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-N,3-dimethyl-1,2-oxazol-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)N[C@@H]1CCC2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3O)C

DOS

IR

Vibrations