Geometry & MOs

Info

ID:	371420
PubChem CID:	127346293
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	4.56
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NCC2=CC(=CC=C2)CN3CCOCC3

DOS

IR

Vibrations