Geometry & MOs

Info

ID:	171367
PubChem CID:	75367646
Reduced:	F3O3N4C17H19 (1)
Stoich.:	A3B3C4D17E19 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-215.92
Dipole, Da:	2.89
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-[(4-methoxyphenyl)methyl]-6-(6-methylpyridin-2-yl)oxy-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCOC[C@@H](C2)OC3=NC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations