Geometry & MOs

Info

ID:	171919
PubChem CID:	75441233
Reduced:	ClON5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	3.57
Dipole, Da:	7.41
IP(EA), eV:	-8.63(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-tert-butylpyrazol-4-yl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCC(CC2)C3=NN=CN3C

DOS

IR

Vibrations