Geometry & MOs

Info

ID:	370199
PubChem CID:	127337713
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	360.173231
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	5.76
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3=CSC(=N3)C

DOS

IR

Vibrations