Geometry & MOs

Info

ID:	343153
PubChem CID:	127266326
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	325.115045
ΔH_f, kcal/mol:	63.34
Dipole, Da:	4.57
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)NC(=O)NC2=NNC(=C2)C3=CC=NC=C3)C

DOS

IR

Vibrations