Geometry & MOs

Info

ID:	346398
PubChem CID:	127270902
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-7.6
Dipole, Da:	6.51
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC3(CCCC3)N(C)C)NN=C2

DOS

IR

Vibrations