Geometry & MOs

Info

ID:	171661
PubChem CID:	75411516
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	352.139862
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	3.51
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-pyridin-3-yloxy-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CNC(=O)[C@@H](C1=CC=CC=C1OC)N2CCC[C@H]2C(=O)N3CCOCC3

DOS

IR

Vibrations