Geometry & MOs

Info

ID:	406506
PubChem CID:	135077827
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	285.055656
ΔH_f, kcal/mol:	117.65
Dipole, Da:	5.63
IP(EA), eV:	-8.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-(3-chlorophenyl)-4H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)/C=C(\C2=CC=C(C=C2)N(C)C)/N=C(C3=NC=CN=C3)N

DOS

IR

Vibrations