Geometry & MOs

Info

ID:	353967
PubChem CID:	127285607
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	2.5
IP(EA), eV:	-8.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)NC2=CN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations