Geometry & MOs

Info

ID:	367021
PubChem CID:	127322953
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	4.0
IP(EA), eV:	-9.7(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-propoxyisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NC2(CCCC2)C#N

DOS

IR

Vibrations