Geometry & MOs

Info

ID:	343092
PubChem CID:	127266265
Reduced:	ON6C13H24 (1)
Stoich.:	AB6C13D24 (1)
Weight, g/mol:	280.226312
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	5.15
IP(EA), eV:	-9.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-(cyanomethyl)-3,5-dimethylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CCN(CC1)C2=NC=NN2

DOS

IR

Vibrations