Geometry & MOs

Info

ID:	333828
PubChem CID:	127252380
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	19.94
Dipole, Da:	1.91
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=CC=CC=N2)CC3=CC=CC=N3

DOS

IR

Vibrations