Geometry & MOs

Info

ID:	355696
PubChem CID:	127289677
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-6.86
Dipole, Da:	8.46
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N2CCOC(C2)C#N)C3CC3

DOS

IR

Vibrations