Geometry & MOs

Info

ID:	333833
PubChem CID:	127252385
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	20.64
Dipole, Da:	2.5
IP(EA), eV:	-9.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CN=CC=C2)C3=CC=NN3

DOS

IR

Vibrations