Geometry & MOs

Info

ID:	370247
PubChem CID:	127337914
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-12.1
Dipole, Da:	5.12
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations