Geometry & MOs

Info

ID:	333777
PubChem CID:	127252329
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	6.09
Dipole, Da:	7.12
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CC2CN(CCOC2)CC3=NC=CN3

DOS

IR

Vibrations