Geometry & MOs

Info

ID:	233506
PubChem CID:	90944940
Reduced:	OC2N2H6 (1)
Stoich.:	AB2C2D6 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	4.32
IP(EA), eV:	-10.35(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CO.C(#N)N

DOS

IR

Vibrations