Geometry & MOs

Info

ID:	73977
PubChem CID:	48421303
Reduced:	FNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	387.126216
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	4.02
IP(EA), eV:	-8.52(-0.22)
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-pyridin-4-ylurea

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)OCCOC3=CC=CC=C3F

DOS

IR

Vibrations