Geometry & MOs

Info

ID:	297813
PubChem CID:	117632718
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	209.084064
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	3.51
IP(EA), eV:	-7.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-6,7-didehydro-2,4-dihydrobenzo[e][1,3]oxazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(=C1)C2=CNC3=C2C=C(C=N3)N

DOS

IR

Vibrations