Geometry & MOs

Info

ID:	64714
PubChem CID:	29203897
Reduced:	FON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	342.149204
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	5.15
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C=CC4=CC=CC=C43

DOS

IR

Vibrations