Geometry & MOs

Info

ID:	7067
PubChem CID:	71153
Reduced:	OF3N4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	316.151096
ΔH_f, kcal/mol:	-180.29
Dipole, Da:	5.47
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylurea

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)N)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations