Geometry & MOs

Info

ID:	73978
PubChem CID:	48421304
Reduced:	ClFON5C19H19 (1)
Stoich.:	ABCD5E19F19 (1)
Weight, g/mol:	404.152765
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	8.96
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-imidazol-1-ylpropyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations