Geometry & MOs

Info

ID:	371449
PubChem CID:	127346448
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-66.21
Dipole, Da:	2.86
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyrrolidin-1-ylpiperidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations