Geometry & MOs

Info

ID:	64474
PubChem CID:	29201103
Reduced:	O2N4C23H29 (1)
Stoich.:	A2B4C23D29 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931645
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations