Geometry & MOs

Info

ID:	357984
PubChem CID:	127295498
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	4.62
IP(EA), eV:	-8.57(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-piperidin-1-ylpyrrolidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CCN2CCC(C2)N3CCCCC3)C

DOS

IR

Vibrations