Geometry & MOs

Info

ID:	343157
PubChem CID:	127266330
Reduced:	OSN7C15H17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	73.32
Dipole, Da:	1.42
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CCCCC1=NN=C(S1)NC(=O)NC2=NNC(=C2)C3=CN=CC=C3

DOS

IR

Vibrations