Geometry & MOs

Info

ID:	333823
PubChem CID:	127252375
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	3.94
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=N3

DOS

IR

Vibrations