Geometry & MOs

Info

ID:	37973
PubChem CID:	8026160
Reduced:	N2O6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	413.137556
ΔH_f, kcal/mol:	-179.08
Dipole, Da:	5.63
IP(EA), eV:	-8.52(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43)OC1

DOS

IR

Vibrations