Geometry & MOs

Info

ID:	233728
PubChem CID:	92093101
Reduced:	OF3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-112.35
Dipole, Da:	7.45
IP(EA), eV:	-9.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[(2-pyridin-4-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=NC=C2)CNC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations