Geometry & MOs

Info

ID:	219379
PubChem CID:	85148338
Reduced:	N3O3C29H39 (1)
Stoich.:	A3B3C29D39 (1)
Weight, g/mol:	477.36068
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	8.45
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(16-phenylhexadecoxymethyl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C5=CC=CC=C5

DOS

IR

Vibrations