Geometry & MOs

Info

ID:	365312
PubChem CID:	127317696
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	3.83
IP(EA), eV:	-8.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-(4-cyclobutylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CN4CCN(CC4)C5CCC5

DOS

IR

Vibrations