Geometry & MOs

Info

ID:	370304
PubChem CID:	127337982
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	6.65
IP(EA), eV:	-8.42(-0.02)
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-(oxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CC4CCC3C4

DOS

IR

Vibrations