Geometry & MOs

Info

ID:	366622
PubChem CID:	127320151
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	0.67
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(azepan-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=C3C(=CC=C2)OCO3)C(=O)C4=C5C(=CC=C4)OCO5

DOS

IR

Vibrations