Geometry & MOs

Info

ID:	368831
PubChem CID:	127330651
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	22.77
Dipole, Da:	4.91
IP(EA), eV:	-8.42(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-6-piperidin-1-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CN=CC(=N2)N3CCCC3C4=C5C(=CC=C4)OCCO5)C

DOS

IR

Vibrations