Geometry & MOs

Info

ID:	352257
PubChem CID:	127283339
Reduced:	OSN6C14H18 (1)
Stoich.:	ABC6D14E18 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	39.66
Dipole, Da:	1.29
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations