Geometry & MOs

Info

ID:	19723
PubChem CID:	571338
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	3.98
IP(EA), eV:	-9.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-hydroxyphenyl)-4-methyl-1,5,2-dioxazinan-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1CN(OC(O1)C2=CC=CC=C2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations