Geometry & MOs

Info

ID:	354593
PubChem CID:	127287210
Reduced:	OSN8C16H20 (1)
Stoich.:	ABC8D16E20 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	64.45
Dipole, Da:	2.25
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazine-1-carbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

DOS

IR

Vibrations