Geometry & MOs

Info

ID:	217110
PubChem CID:	85087271
Reduced:	N3O3H14C19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	5.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947421
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-diphenyl-4,5-dihydro-1,2-oxazol-3-yl)-4,4-dimethylpent-1-en-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CC2C=CC3=CC=CC4=NC(=O)C(=O)[N+]2=C34

DOS

IR

Vibrations