Geometry & MOs

Info

ID:	333774
PubChem CID:	127252326
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	5.61
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pyrazin-2-ylmethyl)-4-pyridin-3-yl-1,4-oxazepane

Drug info:

PubChemData

Smile

CNC1=NN=C(C=C1)CC2CN(CCOC2)CCOC

DOS

IR

Vibrations