Geometry & MOs

Info

ID:	333852
PubChem CID:	127252404
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	37.97
Dipole, Da:	3.24
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)CN2CCOCC(C2)CC3=NC=CN=C3

DOS

IR

Vibrations