Geometry & MOs

Info

ID:	355962
PubChem CID:	127290952
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	1.11
IP(EA), eV:	-8.91(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[1-(1-phenylethyl)pyrrolidin-3-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(C2)NC(=O)NC3CCCOC3

DOS

IR

Vibrations