Geometry & MOs

Info

ID:	328398
PubChem CID:	126705878
Reduced:	BrON3C30H54 (1)
Stoich.:	ABC3D30E54 (1)
Weight, g/mol:	410.350843
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	3.89
IP(EA), eV:	-9.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-pentadecanoylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)N1CCC(CC1)N2C=C(C=N2)Br

DOS

IR

Vibrations