Geometry & MOs

Info

ID:	335844
PubChem CID:	127254706
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	375.219829
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	4.22
IP(EA), eV:	-8.27(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(4-nonylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations