Geometry & MOs

Info

ID:	362346
PubChem CID:	127307412
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	394.305624
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	2.48
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC(=O)NC2=CN=CC=C2)C

DOS

IR

Vibrations