Geometry & MOs

Info

ID:	352220
PubChem CID:	127283302
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	3.5
IP(EA), eV:	-9.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-4-(4-methoxypyridin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(C2=CC=C(C=C2)Cl)NC(=O)NCC3COCCO3

DOS

IR

Vibrations