Geometry & MOs

Info

ID:	357325
PubChem CID:	127293958
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	6.24
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations