Geometry & MOs

Info

ID:	155165
PubChem CID:	56320892
Reduced:	BrClN2O2C16H16 (1)
Stoich.:	ABC2D2E16F16 (1)
Weight, g/mol:	374.070116
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	3.22
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations