Geometry & MOs

Info

ID:	346126
PubChem CID:	127270614
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	391.238353
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	2.05
IP(EA), eV:	-8.85(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCN(CCNC(=O)NC1CCCNC1=O)C2CC2

DOS

IR

Vibrations