Geometry & MOs

Info

ID:	362325
PubChem CID:	127307354
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	339.263425
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	6.13
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCC1)C(=O)NCCN2C(=O)CC3=CC=CC=C32

DOS

IR

Vibrations