Geometry & MOs

Info

ID:	361120
PubChem CID:	127302036
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	353.188546
ΔH_f, kcal/mol:	24.0
Dipole, Da:	7.53
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations