Geometry & MOs

Info

ID:	343156
PubChem CID:	127266329
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	65.6
Dipole, Da:	2.33
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations