Geometry & MOs

Info

ID:	354686
PubChem CID:	127287385
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	381.219846
ΔH_f, kcal/mol:	-65.33
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(3-morpholin-4-ylbutan-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations