Geometry & MOs

Info

ID:	145814
PubChem CID:	53598236
Reduced:	OF3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	5.5
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methoxyphenyl)propan-2-yl]-3-pyridin-3-ylurea

Drug info:

PubChemData

Smile

CCN1CCN(C1=O)C2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations