Geometry & MOs

Info

ID:	196793
PubChem CID:	78879547
Reduced:	ON8C19H20 (1)
Stoich.:	AB8C19D20 (1)
Weight, g/mol:	343.187147
ΔH_f, kcal/mol:	107.25
Dipole, Da:	6.13
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-piperidin-1-ylpropan-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

DOS

IR

Vibrations