Geometry & MOs

Info

ID:	73875
PubChem CID:	48420877
Reduced:	ClFON5C19H19 (1)
Stoich.:	ABCD5E19F19 (1)
Weight, g/mol:	417.136781
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(6-methoxypyridin-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN(CCCN2C=CN=C2)C(=O)NC3=CN=CC=C3)F

DOS

IR

Vibrations