Geometry & MOs

Info

ID:	155071
PubChem CID:	56320644
Reduced:	O2F3N5C24H30 (1)
Stoich.:	A2B3C5D24E30 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-196.26
Dipole, Da:	5.65
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(3-propan-2-ylphenyl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)CCC4=CC=NC=C4

DOS

IR

Vibrations