Geometry & MOs

Info

ID:	354548
PubChem CID:	127287162
Reduced:	OSN5C19H33 (1)
Stoich.:	ABC5D19E33 (1)
Weight, g/mol:	353.224932
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	2.26
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NC(C)C3=NC(=CS3)C)C

DOS

IR

Vibrations