Geometry & MOs

Info

ID:	362291
PubChem CID:	127307313
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	311.268511
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	2.77
IP(EA), eV:	-8.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2=CC(=CC=C2)CN3CCOCC3)C

DOS

IR

Vibrations