Geometry & MOs

Info

ID:	73980
PubChem CID:	48421306
Reduced:	ClFON5C20H21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	417.136781
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	3.32
IP(EA), eV:	-9.15(-0.79)
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-(2-methoxypyridin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations