Geometry & MOs

Info

ID:	333825
PubChem CID:	127252377
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	13.21
Dipole, Da:	0.98
IP(EA), eV:	-8.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethyl)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1CC2=CC=CC=C2)CC3=CC=CC=N3

DOS

IR

Vibrations