Geometry & MOs

Info

ID:	370157
PubChem CID:	127337534
Reduced:	ON4C8H10 (2)
Stoich.:	AB4C8D10 (2)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	64.45
Dipole, Da:	10.61
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-2-ylmethyl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)N2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations