Geometry & MOs

Info

ID:	343158
PubChem CID:	127266331
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	93.69
Dipole, Da:	3.23
IP(EA), eV:	-8.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CC2)NC(=O)NC3=NNC(=C3)C4=CN=CC=C4

DOS

IR

Vibrations