Geometry & MOs

Info

ID:	362338
PubChem CID:	127307379
Reduced:	ClO2N5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	388.238688
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	4.08
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CC(=O)N(C2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations