Geometry & MOs

Info

ID:	333836
PubChem CID:	127252388
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-yl-[6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)C2=CC=CC=N2)CC3=NC=CN=C3

DOS

IR

Vibrations