Geometry & MOs

Info

ID:	357585
PubChem CID:	127294258
Reduced:	O2F3N4C18H29 (1)
Stoich.:	A2B3C4D18E29 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-263.64
Dipole, Da:	5.57
IP(EA), eV:	-8.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3CCC(NC3=O)C(F)(F)F

DOS

IR

Vibrations