Geometry & MOs

Info

ID:	305667
PubChem CID:	124964637
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	1.78
IP(EA), eV:	-9.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H]1C2=CC=CC=C2)C(=O)C3CCOCC3

DOS

IR

Vibrations