Geometry & MOs

Info

ID:	27192
PubChem CID:	819265
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	6.62
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminophenyl)iminomethyl]-3-phenyl-2H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NN=CC2=CC=NC=C2)OC

DOS

IR

Vibrations