Geometry & MOs

Info

ID:	155068
PubChem CID:	56320641
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	374.070116
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	3.62
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CCC4=CC=NC=C4

DOS

IR

Vibrations