Geometry & MOs

Info

ID:	67326
PubChem CID:	46506280
Reduced:	FNOH6C7 (3)
Stoich.:	ABCD6E7 (3)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-239.19
Dipole, Da:	8.54
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCCC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations