Geometry & MOs

Info

ID:	370153
PubChem CID:	127337526
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	2.91
IP(EA), eV:	-8.62(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations