Geometry & MOs

Info

ID:	67327
PubChem CID:	46506282
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	4.44
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations