Geometry & MOs

Info

ID:	362927
PubChem CID:	127309863
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	354.274324
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	4.58
IP(EA), eV:	-8.46(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=CC=CC=C2OC3CCCC3)C

DOS

IR

Vibrations