Geometry & MOs

Info

ID:	233727
PubChem CID:	92093099
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	372.119796
ΔH_f, kcal/mol:	10.26
Dipole, Da:	5.94
IP(EA), eV:	-9.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-pyridin-4-ylpyridin-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCCNC(=O)NCC1=C(N=CC=C1)C2=CC=NC=C2

DOS

IR

Vibrations