Geometry & MOs

Info

ID:	358194
PubChem CID:	127295739
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	5.38
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=C(C=CC=C3F)F

DOS

IR

Vibrations