Geometry & MOs

Info

ID:	357231
PubChem CID:	127293735
Reduced:	BrON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	7.62
Dipole, Da:	5.78
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NN1)C(=O)N2CCN(CC2)C3CC3)Br

DOS

IR

Vibrations