Geometry & MOs

Info

ID:	364906
PubChem CID:	127316494
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	6.94
Dipole, Da:	4.19
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2CCC2)SC3=NN=CN3C

DOS

IR

Vibrations