Geometry & MOs

Info

ID:	196845
PubChem CID:	78885661
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	4.5
IP(EA), eV:	-8.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-(oxolan-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)OCC4=NC=CN4C

DOS

IR

Vibrations