Geometry & MOs

Info

ID:	73981
PubChem CID:	48421307
Reduced:	ClFO2N5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	416.141532
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	3.74
IP(EA), eV:	-8.73(-0.88)
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-(3-methoxyphenyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations