Geometry & MOs

Info

ID:	426966
PubChem CID:	135154736
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	3.36
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CN2C(=NN(C2=O)C)N=C1N3CCC(CC3)O

DOS

IR

Vibrations