Geometry & MOs

Info

ID:	370263
PubChem CID:	127337930
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	9.89
Dipole, Da:	1.54
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)NC3CCCN(C3)C4=NN=C(C=C4)C)SC=C2

DOS

IR

Vibrations