Geometry & MOs

Info

ID:	370309
PubChem CID:	127338007
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	6.84
IP(EA), eV:	-8.41(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC3C(C)C

DOS

IR

Vibrations